4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine

C16H22N4 — CID 112883490

IUPAC4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCC(C)Nc1ccnc(NCc2ccccc2C)n1
InChIInChI=1S/C16H22N4/c1-4-13(3)19-15-9-10-17-16(20-15)18-11-14-8-6-5-7-12(14)2/h5-10,13H,4,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyGZXHTUMJRMWWHN-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.61
Rot. Bonds6

About 4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine

4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112883490) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112883490
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCC(C)Nc1ccnc(NCc2ccccc2C)n1
InChIInChI=1S/C16H22N4/c1-4-13(3)19-15-9-10-17-16(20-15)18-11-14-8-6-5-7-12(14)2/h5-10,13H,4,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyGZXHTUMJRMWWHN-UHFFFAOYSA-N
XLogP3.61
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112881992
2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790438
4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112883503
2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470
2-N-butan-2-yl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112909057
2-N-butyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112883006
4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112883488
4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112883545
4-N-[(2-methylphenyl)methyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112889699
4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine
CID 112883682
2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801501
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889963

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 112883490) is 4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine is CCC(C)Nc1ccnc(NCc2ccccc2C)n1.
What is the InChIKey of 4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is GZXHTUMJRMWWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-13(3)19-15-9-10-17-16(20-15)18-11-14-8-6-5-7-12(14)2/h5-10,13H,4,11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112883490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).