2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine

C16H23N5 — CID 80956526

IUPAC2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
SMILESCN(CCc1ccccn1)c1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C16H23N5/c1-16(2,3)15-19-13(17)11-14(20-15)21(4)10-8-12-7-5-6-9-18-12/h5-7,9,11H,8,10H2,1-4H3,(H2,17,19,20)
InChIKeyFRRKJKOPGPMYIF-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.43
Rot. Bonds4

About 2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine

2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80956526) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
PubChem CID80956526
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
SMILESCN(CCc1ccccn1)c1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C16H23N5/c1-16(2,3)15-19-13(17)11-14(20-15)21(4)10-8-12-7-5-6-9-18-12/h5-7,9,11H,8,10H2,1-4H3,(H2,17,19,20)
InChIKeyFRRKJKOPGPMYIF-UHFFFAOYSA-N
XLogP2.43
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80955502
4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80765765
2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967560
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
6-chloro-N-methyl-2-methylsulfanyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 113221054
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 91767683
[5-[methyl(2-pyridin-2-ylethyl)amino]pyrazin-2-yl]methanol
CID 107372677
6-hydrazinyl-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80944141
2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 80958210
[2-[methyl(2-pyridin-2-ylethyl)amino]-4-pyridinyl]methanol
CID 61256233
2-N-methyl-6-propoxy-2-N-(2-pyridin-2-ylethyl)pyridine-2,5-diamine
CID 43260799

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine (CID 80956526) is 2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine is CN(CCc1ccccn1)c1cc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is FRRKJKOPGPMYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-16(2,3)15-19-13(17)11-14(20-15)21(4)10-8-12-7-5-6-9-18-12/h5-7,9,11H,8,10H2,1-4H3,(H2,17,19,20).
What are the key properties of 2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 285.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80956526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).