6-amino-1-butyl-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methylpyrimidine-2,4-dione

C14H24N4O3 — CID 79480764

IUPAC6-amino-1-butyl-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCC2(CO)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H24N4O3/c1-3-4-7-18-11(15)10(12(20)17(2)13(18)21)16-8-14(9-19)5-6-14/h16,19H,3-9,15H2,1-2H3
InChIKeyPHTHVRQQIUFLBJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.11
Rot. Bonds7

About 6-amino-1-butyl-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methylpyrimidine-2,4-dione

6-amino-1-butyl-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methylpyrimidine-2,4-dione (PubChem CID 79480764) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methylpyrimidine-2,4-dione
PubChem CID79480764
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name6-amino-1-butyl-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCC2(CO)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H24N4O3/c1-3-4-7-18-11(15)10(12(20)17(2)13(18)21)16-8-14(9-19)5-6-14/h16,19H,3-9,15H2,1-2H3
InChIKeyPHTHVRQQIUFLBJ-UHFFFAOYSA-N
XLogP0.11
TPSA102.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methylpyrimidine-2,4-dione (CID 79480764) is 6-amino-1-butyl-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methylpyrimidine-2,4-dione is CCCCn1c(N)c(NCC2(CO)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methylpyrimidine-2,4-dione?
The InChIKey is PHTHVRQQIUFLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-3-4-7-18-11(15)10(12(20)17(2)13(18)21)16-8-14(9-19)5-6-14/h16,19H,3-9,15H2,1-2H3.
What are the key properties of 6-amino-1-butyl-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methylpyrimidine-2,4-dione?
6-amino-1-butyl-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methylpyrimidine-2,4-dione has a molecular weight of 296.37 g/mol, XLogP of 0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 79480764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).