6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione

C13H24N4O2 — CID 47281812

IUPAC6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(C)CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C13H24N4O2/c1-5-6-7-17-11(14)10(12(18)15-13(17)19)16(4)8-9(2)3/h9H,5-8,14H2,1-4H3,(H,15,18,19)
InChIKeyRZZVAYMTVSCVJP-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.01
Rot. Bonds6

About 6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione (PubChem CID 47281812) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione
PubChem CID47281812
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(C)CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C13H24N4O2/c1-5-6-7-17-11(14)10(12(18)15-13(17)19)16(4)8-9(2)3/h9H,5-8,14H2,1-4H3,(H,15,18,19)
InChIKeyRZZVAYMTVSCVJP-UHFFFAOYSA-N
XLogP1.01
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)propanamide
CID 26200665
6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione
CID 47150405
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-chloro-N-(2-methylpropyl)butanamide
CID 2393558
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(2-methylpropyl)benzamide
CID 8922762
6-amino-1-butyl-5-[3-methylbutyl(prop-2-enyl)amino]pyrimidine-2,4-dione
CID 71943511
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(2-methylpropyl)acetamide
CID 18084090
6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione
CID 61146393
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3,5-bis(trifluoromethyl)benzamide
CID 26200722
6-amino-1-butyl-5-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione
CID 78834956
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-methyl-N-(2-methylpropyl)benzamide
CID 8922784

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione (CID 47281812) is 6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione is CCCCn1c(N)c(N(C)CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione?
The InChIKey is RZZVAYMTVSCVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-6-7-17-11(14)10(12(18)15-13(17)19)16(4)8-9(2)3/h9H,5-8,14H2,1-4H3,(H,15,18,19).
What are the key properties of 6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione has a molecular weight of 268.36 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 47281812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).