N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-methylamino]propanamide

C15H21N9O4 — CID 169130886

IUPACN-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-methylamino]propanamide
SMILESCN(CCC(=O)Nc1c(N)nc[nH]c1=O)CCC(=O)Nc1c(N)nc[nH]c1=O
InChIInChI=1S/C15H21N9O4/c1-24(4-2-8(25)22-10-12(16)18-6-20-14(10)27)5-3-9(26)23-11-13(17)19-7-21-15(11)28/h6-7H,2-5H2,1H3,(H,22,25)(H,23,26)(H3,16,18,20,27)(H3,17,19,21,28)
InChIKeyGVOUPJGDHBJIJA-UHFFFAOYSA-N
MW391.39 g/mol
LogP-1.69
Rot. Bonds8

About N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-methylamino]propanamide

N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-methylamino]propanamide (PubChem CID 169130886) has the molecular formula C15H21N9O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-methylamino]propanamide
PubChem CID169130886
Molecular FormulaC15H21N9O4
Molecular Weight391.39 g/mol
Exact Mass391.17
IUPAC NameN-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-methylamino]propanamide
SMILESCN(CCC(=O)Nc1c(N)nc[nH]c1=O)CCC(=O)Nc1c(N)nc[nH]c1=O
InChIInChI=1S/C15H21N9O4/c1-24(4-2-8(25)22-10-12(16)18-6-20-14(10)27)5-3-9(26)23-11-13(17)19-7-21-15(11)28/h6-7H,2-5H2,1H3,(H,22,25)(H,23,26)(H3,16,18,20,27)(H3,17,19,21,28)
InChIKeyGVOUPJGDHBJIJA-UHFFFAOYSA-N
XLogP-1.69
TPSA204.98 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.39
LogP ≤ 5-1.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-methylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pepteridine A
CID 146684612
N-(4-amino-6-oxo-1,6-dihydropyrimidin-5-yl)isobutyramide
CID 135741768
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide
CID 135802456
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-[2-(diethylamino)ethyl]propanamide
CID 136436513
N-(2-acetamidoethyl)-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanamide
CID 136445991
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-ethylpropanamide
CID 136477481
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]amino]propanamide
CID 169130885
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-(3-aminopropyl)amino]propanamide
CID 169130889
tert-butyl N-[3-[bis[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]amino]propyl]carbamate
CID 169130891
4-amino-5-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-2-methylpropyl]amino]-1H-pyrimidin-6-one
CID 169130893
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-iodoamino]propanamide
CID 170132840
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butylpropanamide
CID 113604264

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-methylamino]propanamide?
The IUPAC name of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-methylamino]propanamide (CID 169130886) is N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-methylamino]propanamide.
What is the SMILES notation for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-methylamino]propanamide?
The canonical SMILES for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-methylamino]propanamide is CN(CCC(=O)Nc1c(N)nc[nH]c1=O)CCC(=O)Nc1c(N)nc[nH]c1=O.
What is the InChIKey of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-methylamino]propanamide?
The InChIKey is GVOUPJGDHBJIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N9O4/c1-24(4-2-8(25)22-10-12(16)18-6-20-14(10)27)5-3-9(26)23-11-13(17)19-7-21-15(11)28/h6-7H,2-5H2,1H3,(H,22,25)(H,23,26)(H3,16,18,20,27)(H3,17,19,21,28).
What are the key properties of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-methylamino]propanamide?
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-methylamino]propanamide has a molecular weight of 391.39 g/mol, XLogP of -1.69, 8 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-methylamino]propanamide is sourced from PubChem (CID 169130886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).