4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine

C12H15N5 — CID 80765765

IUPAC4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
SMILESCN(CCc1ccccn1)c1ccnc(N)n1
InChIInChI=1S/C12H15N5/c1-17(11-5-8-15-12(13)16-11)9-6-10-4-2-3-7-14-10/h2-5,7-8H,6,9H2,1H3,(H2,13,15,16)
InChIKeySZTXJPZVGUVUFS-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.13
Rot. Bonds4

About 4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine

4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80765765) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
PubChem CID80765765
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
SMILESCN(CCc1ccccn1)c1ccnc(N)n1
InChIInChI=1S/C12H15N5/c1-17(11-5-8-15-12(13)16-11)9-6-10-4-2-3-7-14-10/h2-5,7-8H,6,9H2,1H3,(H2,13,15,16)
InChIKeySZTXJPZVGUVUFS-UHFFFAOYSA-N
XLogP1.13
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-2-N-(2-pyridin-2-ylethyl)quinoline-2,6-diamine
CID 43450816
6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 63960883
4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80790430
5-chloro-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80766045
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 91767683
2-N-methyl-6-propoxy-2-N-(2-pyridin-2-ylethyl)pyridine-2,5-diamine
CID 43260799
[5-[methyl(2-pyridin-2-ylethyl)amino]pyrazin-2-yl]methanol
CID 107372677
2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80956526
4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112667653
[2-[methyl(2-pyridin-2-ylethyl)amino]-4-pyridinyl]methanol
CID 61256233
2-cyclopropyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80955502
6-hydrazinyl-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80944141

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine (CID 80765765) is 4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine is CN(CCc1ccccn1)c1ccnc(N)n1.
What is the InChIKey of 4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is SZTXJPZVGUVUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-17(11-5-8-15-12(13)16-11)9-6-10-4-2-3-7-14-10/h2-5,7-8H,6,9H2,1H3,(H2,13,15,16).
What are the key properties of 4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine?
4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 229.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80765765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).