6-(2,3-dimethylphenyl)-4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine

C19H24N6 — CID 90189739

IUPAC6-(2,3-dimethylphenyl)-4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cc(C)n(CCNc2cc(-c3cccc(C)c3C)nc(N)n2)n1
InChIInChI=1S/C19H24N6/c1-12-6-5-7-16(15(12)4)17-11-18(23-19(20)22-17)21-8-9-25-14(3)10-13(2)24-25/h5-7,10-11H,8-9H2,1-4H3,(H3,20,21,22,23)
InChIKeyNOSFRTNVGQTEFV-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.27
Rot. Bonds5

About 6-(2,3-dimethylphenyl)-4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine

6-(2,3-dimethylphenyl)-4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 90189739) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-(2,3-dimethylphenyl)-4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,3-dimethylphenyl)-4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID90189739
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name6-(2,3-dimethylphenyl)-4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cc(C)n(CCNc2cc(-c3cccc(C)c3C)nc(N)n2)n1
InChIInChI=1S/C19H24N6/c1-12-6-5-7-16(15(12)4)17-11-18(23-19(20)22-17)21-8-9-25-14(3)10-13(2)24-25/h5-7,10-11H,8-9H2,1-4H3,(H3,20,21,22,23)
InChIKeyNOSFRTNVGQTEFV-UHFFFAOYSA-N
XLogP3.27
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidin-2-amine
CID 158535242
4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
CID 90189616
4-N-(2-aminopropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
CID 142772228
N-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 90189505
6-(2,3-dimethylphenyl)-4-N-[3-(phenylsulfanylamino)propyl]pyrimidine-2,4-diamine
CID 155440732
methyl 2-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]-6-methylpyrimidine-4-carboxylate
CID 118559487
N'-amino-4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]benzenecarboximidamide
CID 130219168
6-(2,3-dimethylphenyl)-4-N-[3-(4-methylsulfonylphenyl)sulfonylpropyl]pyrimidine-2,4-diamine
CID 158404237
4-chloro-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 157409600
N-[4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]methanesulfonamide
CID 118559488
4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfinamide
CID 118568219
ethyl 6-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carboxylate
CID 118559255

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylphenyl)-4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(2,3-dimethylphenyl)-4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine (CID 90189739) is 6-(2,3-dimethylphenyl)-4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,3-dimethylphenyl)-4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,3-dimethylphenyl)-4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine is Cc1cc(C)n(CCNc2cc(-c3cccc(C)c3C)nc(N)n2)n1.
What is the InChIKey of 6-(2,3-dimethylphenyl)-4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is NOSFRTNVGQTEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-12-6-5-7-16(15(12)4)17-11-18(23-19(20)22-17)21-8-9-25-14(3)10-13(2)24-25/h5-7,10-11H,8-9H2,1-4H3,(H3,20,21,22,23).
What are the key properties of 6-(2,3-dimethylphenyl)-4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine?
6-(2,3-dimethylphenyl)-4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 336.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylphenyl)-4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 90189739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).