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

C13H16N4 — CID 80850064

IUPAC4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCc1ccccc1CCNc1ccnc(N)n1
InChIInChI=1S/C13H16N4/c1-10-4-2-3-5-11(10)6-8-15-12-7-9-16-13(14)17-12/h2-5,7,9H,6,8H2,1H3,(H3,14,15,16,17)
InChIKeyWTCXUAVKYIWRRB-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.02
Rot. Bonds4

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

4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80850064) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID80850064
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCc1ccccc1CCNc1ccnc(N)n1
InChIInChI=1S/C13H16N4/c1-10-4-2-3-5-11(10)6-8-15-12-7-9-16-13(14)17-12/h2-5,7,9H,6,8H2,1H3,(H3,14,15,16,17)
InChIKeyWTCXUAVKYIWRRB-UHFFFAOYSA-N
XLogP2.02
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80849672
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile
CID 79749854
N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine
CID 79034324
6-methoxy-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine
CID 79756545
4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80791275
6-chloro-2-N-[2-(2-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80849210
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 112723330
4-N-octylpyrimidine-2,4-diamine
CID 18766008
4-N-decylpyrimidine-2,4-diamine
CID 56985914
N-[2-(2-methylphenyl)ethyl]quinolin-4-amine
CID 79755193
4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763749
4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine
CID 80792890

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine (CID 80850064) is 4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine is Cc1ccccc1CCNc1ccnc(N)n1.
What is the InChIKey of 4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is WTCXUAVKYIWRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-4-2-3-5-11(10)6-8-15-12-7-9-16-13(14)17-12/h2-5,7,9H,6,8H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine?
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80850064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).