6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine

C13H24N4 — CID 102908872

IUPAC6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCC(C(C)C)C(C)C)nc(N)n1
InChIInChI=1S/C13H24N4/c1-8(2)11(9(3)4)7-15-12-6-10(5)16-13(14)17-12/h6,8-9,11H,7H2,1-5H3,(H3,14,15,16,17)
InChIKeyPVROBEWVVVBOSE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.71
Rot. Bonds5

About 6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine

6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine (PubChem CID 102908872) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine
PubChem CID102908872
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCC(C(C)C)C(C)C)nc(N)n1
InChIInChI=1S/C13H24N4/c1-8(2)11(9(3)4)7-15-12-6-10(5)16-13(14)17-12/h6,8-9,11H,7H2,1-5H3,(H3,14,15,16,17)
InChIKeyPVROBEWVVVBOSE-UHFFFAOYSA-N
XLogP2.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 78993257
4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770441
6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102907365
6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112726070
6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-(propylaminomethyl)pyridin-2-amine
CID 102915337
6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770072
4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine
CID 79033479
4-N-decyl-6-methylpyrimidine-2,4-diamine
CID 80855252
6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine
CID 83146706
1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-2-one
CID 58679014
2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine
CID 102908730
6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 112724390

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine (CID 102908872) is 6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine is Cc1cc(NCC(C(C)C)C(C)C)nc(N)n1.
What is the InChIKey of 6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine?
The InChIKey is PVROBEWVVVBOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-8(2)11(9(3)4)7-15-12-6-10(5)16-13(14)17-12/h6,8-9,11H,7H2,1-5H3,(H3,14,15,16,17).
What are the key properties of 6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine?
6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 102908872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).