6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione

C14H26N4O3 — CID 61146393

IUPAC6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CCCO)C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H26N4O3/c1-4-5-7-18-12(15)11(13(20)16-14(18)21)17(10(2)3)8-6-9-19/h10,19H,4-9,15H2,1-3H3,(H,16,20,21)
InChIKeyNCOIDFOBXJWTMN-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.52
Rot. Bonds8

About 6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione (PubChem CID 61146393) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione
PubChem CID61146393
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CCCO)C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H26N4O3/c1-4-5-7-18-12(15)11(13(20)16-14(18)21)17(10(2)3)8-6-9-19/h10,19H,4-9,15H2,1-3H3,(H,16,20,21)
InChIKeyNCOIDFOBXJWTMN-UHFFFAOYSA-N
XLogP0.52
TPSA104.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione
CID 47150405
6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione
CID 47281812
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)propanamide
CID 26200665
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
6-amino-5-[butyl(2-hydroxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 60648892
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)-2-methyl-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 42999712
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)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-methylsulfanylbenzamide
CID 26185536
1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea
CID 9438137
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(methylamino)acetamide
CID 18087322

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione (CID 61146393) is 6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione is CCCCn1c(N)c(N(CCCO)C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione?
The InChIKey is NCOIDFOBXJWTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-4-5-7-18-12(15)11(13(20)16-14(18)21)17(10(2)3)8-6-9-19/h10,19H,4-9,15H2,1-3H3,(H,16,20,21).
What are the key properties of 6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione has a molecular weight of 298.39 g/mol, XLogP of 0.52, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[3-hydroxypropyl(propan-2-yl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 61146393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).