5-butyl-4-methoxypyrimidin-2-amine

C9H15N3O — CID 13301093

IUPAC5-butyl-4-methoxypyrimidin-2-amine
SMILESCCCCc1cnc(N)nc1OC
InChIInChI=1S/C9H15N3O/c1-3-4-5-7-6-11-9(10)12-8(7)13-2/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyPGUWTCZYHPGCMT-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.41
Rot. Bonds4

About 5-butyl-4-methoxypyrimidin-2-amine

5-butyl-4-methoxypyrimidin-2-amine (PubChem CID 13301093) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-butyl-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-butyl-4-methoxypyrimidin-2-amine
PubChem CID13301093
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-butyl-4-methoxypyrimidin-2-amine
SMILESCCCCc1cnc(N)nc1OC
InChIInChI=1S/C9H15N3O/c1-3-4-5-7-6-11-9(10)12-8(7)13-2/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyPGUWTCZYHPGCMT-UHFFFAOYSA-N
XLogP1.41
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-4-methoxypyrimidin-2-amine
CID 83851815
5-hexylpyrimidine-2,4-diamine
CID 23086565
4,5-dimethoxypyrimidin-2-amine
CID 12988104
4-N-butyl-5-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 134568943
4-N-butyl-5-hexylpyrimidine-2,4-diamine
CID 123602752
5-[(3-butoxy-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 11403887
5-[(3,5-dimethoxy-4-octoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 5279633
5-[(4-butoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine
CID 13112761
5-[(3-ethyl-4-methoxy-5-propylphenyl)methyl]pyrimidine-2,4-diamine
CID 13112757
4-ethoxypyrimidine-2,5-diamine
CID 119098064
5-butyl-4-methylpyridin-2-amine
CID 106659105
5-methyl-4-propoxypyrimidin-2-amine
CID 80864998

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-butyl-4-methoxypyrimidin-2-amine (CID 13301093) is 5-butyl-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-butyl-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-butyl-4-methoxypyrimidin-2-amine is CCCCc1cnc(N)nc1OC.
What is the InChIKey of 5-butyl-4-methoxypyrimidin-2-amine?
The InChIKey is PGUWTCZYHPGCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-4-5-7-6-11-9(10)12-8(7)13-2/h6H,3-5H2,1-2H3,(H2,10,11,12).
What are the key properties of 5-butyl-4-methoxypyrimidin-2-amine?
5-butyl-4-methoxypyrimidin-2-amine has a molecular weight of 181.24 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 13301093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).