2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine

C19H28N4 — CID 112925722

IUPAC2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(C)cc(Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C19H28N4/c1-6-7-12-23(5)19-20-15(4)13-18(22-19)21-17-10-8-16(9-11-17)14(2)3/h8-11,13-14H,6-7,12H2,1-5H3,(H,20,21,22)
InChIKeyXZGHNBXHDRTRRS-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.89
Rot. Bonds7

About 2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine

2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112925722) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112925722
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(C)cc(Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C19H28N4/c1-6-7-12-23(5)19-20-15(4)13-18(22-19)21-17-10-8-16(9-11-17)14(2)3/h8-11,13-14H,6-7,12H2,1-5H3,(H,20,21,22)
InChIKeyXZGHNBXHDRTRRS-UHFFFAOYSA-N
XLogP4.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112925744
2-N-butyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112925782
2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112938004
4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921635
2-N-butyl-2-N-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112900705
4-[[2-[butyl(methyl)amino]-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112938019
2-N-butyl-4-N-(furan-2-ylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112915169
5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960946
6-methyl-4-N-(4-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919941
4-[[2-(dipropylamino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112926457
6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112926428
N-butan-2-yl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109321443

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine (CID 112925722) is 2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine is CCCCN(C)c1nc(C)cc(Nc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is XZGHNBXHDRTRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-6-7-12-23(5)19-20-15(4)13-18(22-19)21-17-10-8-16(9-11-17)14(2)3/h8-11,13-14H,6-7,12H2,1-5H3,(H,20,21,22).
What are the key properties of 2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine?
2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 312.46 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112925722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).