N-(4-methoxybutan-2-yl)pyrimidin-2-amine

C9H15N3O — CID 62732717

IUPACN-(4-methoxybutan-2-yl)pyrimidin-2-amine
SMILESCOCCC(C)Nc1ncccn1
InChIInChI=1S/C9H15N3O/c1-8(4-7-13-2)12-9-10-5-3-6-11-9/h3,5-6,8H,4,7H2,1-2H3,(H,10,11,12)
InChIKeyOFRIOOMMHWHGKM-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.31
Rot. Bonds5

About N-(4-methoxybutan-2-yl)pyrimidin-2-amine

N-(4-methoxybutan-2-yl)pyrimidin-2-amine (PubChem CID 62732717) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)pyrimidin-2-amine
PubChem CID62732717
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(4-methoxybutan-2-yl)pyrimidin-2-amine
SMILESCOCCC(C)Nc1ncccn1
InChIInChI=1S/C9H15N3O/c1-8(4-7-13-2)12-9-10-5-3-6-11-9/h3,5-6,8H,4,7H2,1-2H3,(H,10,11,12)
InChIKeyOFRIOOMMHWHGKM-UHFFFAOYSA-N
XLogP1.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 112688333
N-(4-methoxybutan-2-yl)-2-methylpyridin-3-amine
CID 79042219
N-pent-4-yn-2-ylpyrimidin-2-amine
CID 115658926
N-(4-methylsulfonylbutan-2-yl)pyrimidin-2-amine
CID 133386855
N-(4-methoxybutan-2-yl)-4-methylpyridin-2-amine
CID 64604062
N-(4-methoxybutan-2-yl)-2-(2-methoxyethyl)aniline
CID 102849074
5-methoxy-N-(4-methoxybutan-2-yl)pyridin-2-amine
CID 103932146
N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 62735148
1-tert-butyl-3-(4-methoxybutan-2-ylamino)pyrazin-2-one
CID 64604064
5-bromo-N-(4-methoxybutan-2-yl)isoquinolin-1-amine
CID 106538805
5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine
CID 106538806
2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 62722481

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)pyrimidin-2-amine (CID 62732717) is N-(4-methoxybutan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)pyrimidin-2-amine is COCCC(C)Nc1ncccn1.
What is the InChIKey of N-(4-methoxybutan-2-yl)pyrimidin-2-amine?
The InChIKey is OFRIOOMMHWHGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8(4-7-13-2)12-9-10-5-3-6-11-9/h3,5-6,8H,4,7H2,1-2H3,(H,10,11,12).
What are the key properties of N-(4-methoxybutan-2-yl)pyrimidin-2-amine?
N-(4-methoxybutan-2-yl)pyrimidin-2-amine has a molecular weight of 181.24 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 62732717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).