5-methoxy-N-(3-methylbutyl)pyrimidin-2-amine

C10H17N3O — CID 114600318

IUPAC5-methoxy-N-(3-methylbutyl)pyrimidin-2-amine
SMILESCOc1cnc(NCCC(C)C)nc1
InChIInChI=1S/C10H17N3O/c1-8(2)4-5-11-10-12-6-9(14-3)7-13-10/h6-8H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyXDYJFWHBLPCRLH-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.94
Rot. Bonds5

About 5-methoxy-N-(3-methylbutyl)pyrimidin-2-amine

5-methoxy-N-(3-methylbutyl)pyrimidin-2-amine (PubChem CID 114600318) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-methoxy-N-(3-methylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methoxy-N-(3-methylbutyl)pyrimidin-2-amine
PubChem CID114600318
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-methoxy-N-(3-methylbutyl)pyrimidin-2-amine
SMILESCOc1cnc(NCCC(C)C)nc1
InChIInChI=1S/C10H17N3O/c1-8(2)4-5-11-10-12-6-9(14-3)7-13-10/h6-8H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyXDYJFWHBLPCRLH-UHFFFAOYSA-N
XLogP1.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-N-(4-methylpentyl)pyrimidin-2-amine
CID 114600442
5-iodo-N-(3-methylbutyl)pyrimidin-2-amine
CID 115620521
5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine
CID 115749812
1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 114600677
N-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine
CID 114600534
1-N-(5-methoxypyrimidin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 114600511
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112899521
2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 109263606
ethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate
CID 114600536
(2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
CID 131107121
4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol
CID 115750155
N-[2-(furan-2-yl)ethyl]-5-methoxypyrimidin-2-amine
CID 114600435

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(3-methylbutyl)pyrimidin-2-amine?
The IUPAC name of 5-methoxy-N-(3-methylbutyl)pyrimidin-2-amine (CID 114600318) is 5-methoxy-N-(3-methylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 5-methoxy-N-(3-methylbutyl)pyrimidin-2-amine?
The canonical SMILES for 5-methoxy-N-(3-methylbutyl)pyrimidin-2-amine is COc1cnc(NCCC(C)C)nc1.
What is the InChIKey of 5-methoxy-N-(3-methylbutyl)pyrimidin-2-amine?
The InChIKey is XDYJFWHBLPCRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)4-5-11-10-12-6-9(14-3)7-13-10/h6-8H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 5-methoxy-N-(3-methylbutyl)pyrimidin-2-amine?
5-methoxy-N-(3-methylbutyl)pyrimidin-2-amine has a molecular weight of 195.27 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(3-methylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 114600318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).