2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine

C17H28N4 — CID 80983873

IUPAC2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1N(CC1CC1)CC1CC1
InChIInChI=1S/C17H28N4/c1-11-14(18)19-16(17(2,3)4)20-15(11)21(9-12-5-6-12)10-13-7-8-13/h12-13H,5-10H2,1-4H3,(H2,18,19,20)
InChIKeyKBFRIUGSMGYTDQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.29
Rot. Bonds5

About 2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine

2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80983873) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80983873
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1N(CC1CC1)CC1CC1
InChIInChI=1S/C17H28N4/c1-11-14(18)19-16(17(2,3)4)20-15(11)21(9-12-5-6-12)10-13-7-8-13/h12-13H,5-10H2,1-4H3,(H2,18,19,20)
InChIKeyKBFRIUGSMGYTDQ-UHFFFAOYSA-N
XLogP3.29
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 80982036
4-N,4-N-dibutyl-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80976041
2-tert-butyl-4-N,5-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 80984780
4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80838815
2-tert-butyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80994196
2-tert-butyl-4-N,5-dimethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80993344
2-tert-butyl-5-methyl-4-N-(2-methylpropyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80982626
2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 82745998
2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine
CID 80977507
4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 107403129
2-tert-butyl-5-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80984976
2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80994208

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine (CID 80983873) is 2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine is Cc1c(N)nc(C(C)(C)C)nc1N(CC1CC1)CC1CC1.
What is the InChIKey of 2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is KBFRIUGSMGYTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-11-14(18)19-16(17(2,3)4)20-15(11)21(9-12-5-6-12)10-13-7-8-13/h12-13H,5-10H2,1-4H3,(H2,18,19,20).
What are the key properties of 2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine?
2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 288.44 g/mol, XLogP of 3.29, 5 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,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80983873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).