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

C16H22N4 — CID 112889893

IUPAC4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCN(CC)c1ccnc(NCc2ccccc2C)n1
InChIInChI=1S/C16H22N4/c1-4-20(5-2)15-10-11-17-16(19-15)18-12-14-9-7-6-8-13(14)3/h6-11H,4-5,12H2,1-3H3,(H,17,18,19)
InChIKeyKINCYGIGMQTSBX-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.24
Rot. Bonds6

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

4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112889893) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112889893
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCN(CC)c1ccnc(NCc2ccccc2C)n1
InChIInChI=1S/C16H22N4/c1-4-20(5-2)15-10-11-17-16(19-15)18-12-14-9-7-6-8-13(14)3/h6-11H,4-5,12H2,1-3H3,(H,17,18,19)
InChIKeyKINCYGIGMQTSBX-UHFFFAOYSA-N
XLogP3.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790438
2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889696
2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112881992
2-N-butyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112883006
4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112883490
4-(azepan-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112889908
4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915931
4-N-[(2-methylphenyl)methyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112889699
N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303953
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889963
2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889764

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 112889893) is 4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine is CCN(CC)c1ccnc(NCc2ccccc2C)n1.
What is the InChIKey of 4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is KINCYGIGMQTSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-20(5-2)15-10-11-17-16(19-15)18-12-14-9-7-6-8-13(14)3/h6-11H,4-5,12H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112889893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).