2-cyclopropyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine

C16H20N4 — CID 80960560

IUPAC2-cyclopropyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCc1ccccc1C(C)Nc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C16H20N4/c1-10-5-3-4-6-13(10)11(2)18-15-9-14(17)19-16(20-15)12-7-8-12/h3-6,9,11-12H,7-8H2,1-2H3,(H3,17,18,19,20)
InChIKeyXLFQAZDMLYTNFF-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.42
Rot. Bonds4

About 2-cyclopropyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine

2-cyclopropyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80960560) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
PubChem CID80960560
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-cyclopropyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCc1ccccc1C(C)Nc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C16H20N4/c1-10-5-3-4-6-13(10)11(2)18-15-9-14(17)19-16(20-15)12-7-8-12/h3-6,9,11-12H,7-8H2,1-2H3,(H3,17,18,19,20)
InChIKeyXLFQAZDMLYTNFF-UHFFFAOYSA-N
XLogP3.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpyrimidine-4,6-diamine
CID 80961862
4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine
CID 129372160
4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80783031
2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine
CID 80958842
2-cyclopropyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-4,6-diamine
CID 80962005
2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 53214520
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107801851
2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide
CID 114767407
6-chloro-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80953116
2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80960729
2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783678
2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801501

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine (CID 80960560) is 2-cyclopropyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine is Cc1ccccc1C(C)Nc1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is XLFQAZDMLYTNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-10-5-3-4-6-13(10)11(2)18-15-9-14(17)19-16(20-15)12-7-8-12/h3-6,9,11-12H,7-8H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 2-cyclopropyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine?
2-cyclopropyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80960560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).