6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine

C14H19N5 — CID 80769134

IUPAC6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine
SMILESCNc1cc(Nc2ccc(C(C)C)cc2)nc(N)n1
InChIInChI=1S/C14H19N5/c1-9(2)10-4-6-11(7-5-10)17-13-8-12(16-3)18-14(15)19-13/h4-9H,1-3H3,(H4,15,16,17,18,19)
InChIKeyFEVJSLULMLUWAW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.97
Rot. Bonds4

About 6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine

6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine (PubChem CID 80769134) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine
PubChem CID80769134
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine
SMILESCNc1cc(Nc2ccc(C(C)C)cc2)nc(N)n1
InChIInChI=1S/C14H19N5/c1-9(2)10-4-6-11(7-5-10)17-13-8-12(16-3)18-14(15)19-13/h4-9H,1-3H3,(H4,15,16,17,18,19)
InChIKeyFEVJSLULMLUWAW-UHFFFAOYSA-N
XLogP2.97
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80933746
4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine
CID 101085708
6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63549748
4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 107371108
6-N-methyl-4-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine
CID 80791340
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80762848
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 82862436
4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80759587
4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80851656
6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 80919860
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 114256694

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine (CID 80769134) is 6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine is CNc1cc(Nc2ccc(C(C)C)cc2)nc(N)n1.
What is the InChIKey of 6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine?
The InChIKey is FEVJSLULMLUWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-9(2)10-4-6-11(7-5-10)17-13-8-12(16-3)18-14(15)19-13/h4-9H,1-3H3,(H4,15,16,17,18,19).
What are the key properties of 6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine?
6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine has a molecular weight of 257.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80769134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).