2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine

C14H16N4 — CID 53214520

IUPAC2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2cc(N)nc(C3CC3)n2)c1
InChIInChI=1S/C14H16N4/c1-9-3-2-4-11(7-9)16-13-8-12(15)17-14(18-13)10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H3,15,16,17,18)
InChIKeyRDYKPCZSRIYHMT-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.99
Rot. Bonds3

About 2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine

2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 53214520) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
PubChem CID53214520
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2cc(N)nc(C3CC3)n2)c1
InChIInChI=1S/C14H16N4/c1-9-3-2-4-11(7-9)16-13-8-12(15)17-14(18-13)10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H3,15,16,17,18)
InChIKeyRDYKPCZSRIYHMT-UHFFFAOYSA-N
XLogP2.99
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-hydrazinyl-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 81007517
2-cyclopropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80956599
4-N-(2-bromo-3-chlorophenyl)-2-cyclopropylpyrimidine-4,6-diamine
CID 103481973
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107801851
2-cyclopropyl-6-methyl-N-phenylpyrimidin-4-amine
CID 163350504
4-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]benzoic acid
CID 53214548
2-cyclopropyl-4-N-(2-iodophenyl)pyrimidine-4,6-diamine
CID 80956491
N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80968707
2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80969098
2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 80956706
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864
6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796334

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine (CID 53214520) is 2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine is Cc1cccc(Nc2cc(N)nc(C3CC3)n2)c1.
What is the InChIKey of 2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is RDYKPCZSRIYHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-9-3-2-4-11(7-9)16-13-8-12(15)17-14(18-13)10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H3,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 53214520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).