2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine

C16H24ClN3 — CID 80977507

IUPAC2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N(CC1CC1)C1CC1
InChIInChI=1S/C16H24ClN3/c1-10-13(17)18-15(16(2,3)4)19-14(10)20(12-7-8-12)9-11-5-6-11/h11-12H,5-9H2,1-4H3
InChIKeyAZVKFELZWDUARG-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.11
Rot. Bonds4

About 2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine

2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine (PubChem CID 80977507) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine
PubChem CID80977507
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N(CC1CC1)C1CC1
InChIInChI=1S/C16H24ClN3/c1-10-13(17)18-15(16(2,3)4)19-14(10)20(12-7-8-12)9-11-5-6-11/h11-12H,5-9H2,1-4H3
InChIKeyAZVKFELZWDUARG-UHFFFAOYSA-N
XLogP4.11
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine
CID 80972664
6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80978847
3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80977886
2-tert-butyl-6-chloro-N,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 80971681
2-tert-butyl-4-chloro-6-(2-cyclopropylethoxy)-5-methylpyrimidine
CID 106201311
2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80983873
2-tert-butyl-4-chloro-6-(cyclopropylmethoxy)-5-methylpyrimidine
CID 80974383
3,5,6-trichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine
CID 102751245
1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80978159
N-cyclopropyl-N-(cyclopropylmethyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80917857
2-tert-butyl-4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyrimidine
CID 80968205
2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 80970942

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine (CID 80977507) is 2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)(C)C)nc1N(CC1CC1)C1CC1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine?
The InChIKey is AZVKFELZWDUARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-10-13(17)18-15(16(2,3)4)19-14(10)20(12-7-8-12)9-11-5-6-11/h11-12H,5-9H2,1-4H3.
What are the key properties of 2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine?
2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine has a molecular weight of 293.84 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80977507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).