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

C14H19N9O4 — CID 169130885

IUPACN-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]amino]propanamide
SMILESNc1nc[nH]c(=O)c1NC(=O)CCNCCC(=O)Nc1c(N)nc[nH]c1=O
InChIInChI=1S/C14H19N9O4/c15-11-9(13(26)20-5-18-11)22-7(24)1-3-17-4-2-8(25)23-10-12(16)19-6-21-14(10)27/h5-6,17H,1-4H2,(H,22,24)(H,23,25)(H3,15,18,20,26)(H3,16,19,21,27)
InChIKeyKUUAJLOROLLEDI-UHFFFAOYSA-N
MW377.37 g/mol
LogP-2.04
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]amino]propanamide

N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]amino]propanamide (PubChem CID 169130885) has the molecular formula C14H19N9O4 and a molecular weight of 377.37 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]amino]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]amino]propanamide
PubChem CID169130885
Molecular FormulaC14H19N9O4
Molecular Weight377.37 g/mol
Exact Mass377.16
IUPAC NameN-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]amino]propanamide
SMILESNc1nc[nH]c(=O)c1NC(=O)CCNCCC(=O)Nc1c(N)nc[nH]c1=O
InChIInChI=1S/C14H19N9O4/c15-11-9(13(26)20-5-18-11)22-7(24)1-3-17-4-2-8(25)23-10-12(16)19-6-21-14(10)27/h5-6,17H,1-4H2,(H,22,24)(H,23,25)(H3,15,18,20,26)(H3,16,19,21,27)
InChIKeyKUUAJLOROLLEDI-UHFFFAOYSA-N
XLogP-2.04
TPSA213.77 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.37
LogP ≤ 5-2.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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]amino]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]amino]propanamide (CID 169130885) is N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]amino]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]amino]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]amino]propanamide is Nc1nc[nH]c(=O)c1NC(=O)CCNCCC(=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]amino]propanamide?
The InChIKey is KUUAJLOROLLEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N9O4/c15-11-9(13(26)20-5-18-11)22-7(24)1-3-17-4-2-8(25)23-10-12(16)19-6-21-14(10)27/h5-6,17H,1-4H2,(H,22,24)(H,23,25)(H3,15,18,20,26)(H3,16,19,21,27).
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]amino]propanamide?
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]amino]propanamide has a molecular weight of 377.37 g/mol, XLogP of -2.04, 8 rotatable bonds, 7 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]amino]propanamide is sourced from PubChem (CID 169130885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).