2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine

C13H22N4 — CID 80967726

IUPAC2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCN(CC1CC1)c1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C13H22N4/c1-13(2,3)12-15-10(14)7-11(16-12)17(4)8-9-5-6-9/h7,9H,5-6,8H2,1-4H3,(H2,14,15,16)
InChIKeyGFASFJWDAHKMJH-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.20
Rot. Bonds3

About 2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine

2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80967726) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine
PubChem CID80967726
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCN(CC1CC1)c1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C13H22N4/c1-13(2,3)12-15-10(14)7-11(16-12)17(4)8-9-5-6-9/h7,9H,5-6,8H2,1-4H3,(H2,14,15,16)
InChIKeyGFASFJWDAHKMJH-UHFFFAOYSA-N
XLogP2.20
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967560
2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967633
2-tert-butyl-4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80957316
2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80961639
2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine
CID 80967623
2-tert-butyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80960082
4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80828094
2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640178
4-(aminomethyl)-6-tert-butyl-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
CID 113381367
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772544
N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775417
2-tert-butyl-4-N-cyclopropyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 80961969

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine (CID 80967726) is 2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine is CN(CC1CC1)c1cc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is GFASFJWDAHKMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-13(2,3)12-15-10(14)7-11(16-12)17(4)8-9-5-6-9/h7,9H,5-6,8H2,1-4H3,(H2,14,15,16).
What are the key properties of 2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80967726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).