N'-[2-methyl-6-(4-propan-2-ylphenyl)pyrimidin-4-yl]ethane-1,2-diamine

C16H22N4 — CID 96667770

IUPACN'-[2-methyl-6-(4-propan-2-ylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
SMILESCc1nc(NCCN)cc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H22N4/c1-11(2)13-4-6-14(7-5-13)15-10-16(18-9-8-17)20-12(3)19-15/h4-7,10-11H,8-9,17H2,1-3H3,(H,18,19,20)
InChIKeyALJQSWIJFIMVSO-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.95
Rot. Bonds5

About N'-[2-methyl-6-(4-propan-2-ylphenyl)pyrimidin-4-yl]ethane-1,2-diamine

N'-[2-methyl-6-(4-propan-2-ylphenyl)pyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 96667770) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N'-[2-methyl-6-(4-propan-2-ylphenyl)pyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-methyl-6-(4-propan-2-ylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
PubChem CID96667770
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN'-[2-methyl-6-(4-propan-2-ylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
SMILESCc1nc(NCCN)cc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H22N4/c1-11(2)13-4-6-14(7-5-13)15-10-16(18-9-8-17)20-12(3)19-15/h4-7,10-11H,8-9,17H2,1-3H3,(H,18,19,20)
InChIKeyALJQSWIJFIMVSO-UHFFFAOYSA-N
XLogP2.95
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]ethane-1,2-diamine
CID 82479379
N,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80936235
2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 70977543
N-benzyl-2-methyl-6-phenylpyrimidin-4-amine
CID 16957885
6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
CID 99980166
N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82473894
6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952017
N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]-4-propan-2-ylbenzamide
CID 108736802
N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine
CID 82191492
N'-[6-(4-chlorophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191432
N'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 99980110
2-methyl-6-(4-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
CID 108771421

Frequently Asked Questions

What is the IUPAC name of N'-[2-methyl-6-(4-propan-2-ylphenyl)pyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-methyl-6-(4-propan-2-ylphenyl)pyrimidin-4-yl]ethane-1,2-diamine (CID 96667770) is N'-[2-methyl-6-(4-propan-2-ylphenyl)pyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-methyl-6-(4-propan-2-ylphenyl)pyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-methyl-6-(4-propan-2-ylphenyl)pyrimidin-4-yl]ethane-1,2-diamine is Cc1nc(NCCN)cc(-c2ccc(C(C)C)cc2)n1.
What is the InChIKey of N'-[2-methyl-6-(4-propan-2-ylphenyl)pyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is ALJQSWIJFIMVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11(2)13-4-6-14(7-5-13)15-10-16(18-9-8-17)20-12(3)19-15/h4-7,10-11H,8-9,17H2,1-3H3,(H,18,19,20).
What are the key properties of N'-[2-methyl-6-(4-propan-2-ylphenyl)pyrimidin-4-yl]ethane-1,2-diamine?
N'-[2-methyl-6-(4-propan-2-ylphenyl)pyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methyl-6-(4-propan-2-ylphenyl)pyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 96667770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).