2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

C15H26N4O — CID 112870060

IUPAC2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCC(C)C)cc(NCC2CCCO2)n1
InChIInChI=1S/C15H26N4O/c1-11(2)6-7-16-14-9-15(19-12(3)18-14)17-10-13-5-4-8-20-13/h9,11,13H,4-8,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyFQRGUDLMCULQNH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.83
Rot. Bonds7

About 2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112870060) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112870060
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCC(C)C)cc(NCC2CCCO2)n1
InChIInChI=1S/C15H26N4O/c1-11(2)6-7-16-14-9-15(19-12(3)18-14)17-10-13-5-4-8-20-13/h9,11,13H,4-8,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyFQRGUDLMCULQNH-UHFFFAOYSA-N
XLogP2.83
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112869998
6-N-[2-(4-chlorophenyl)ethyl]-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870038
4-N-(2,5-dimethylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870079
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112870088
4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112868668
4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112867516
4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112869040
6-hydrazinyl-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80904049
6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 43395188
4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870105
4-N-(4-chloro-2-methylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870102

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine (CID 112870060) is 2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine is Cc1nc(NCCC(C)C)cc(NCC2CCCO2)n1.
What is the InChIKey of 2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is FQRGUDLMCULQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)6-7-16-14-9-15(19-12(3)18-14)17-10-13-5-4-8-20-13/h9,11,13H,4-8,10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112870060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).