2-tert-butyl-6-chloro-N-(dicyclopropylmethyl)pyrimidin-4-amine

C15H22ClN3 — CID 80953223

IUPAC2-tert-butyl-6-chloro-N-(dicyclopropylmethyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(Cl)cc(NC(C2CC2)C2CC2)n1
InChIInChI=1S/C15H22ClN3/c1-15(2,3)14-17-11(16)8-12(19-14)18-13(9-4-5-9)10-6-7-10/h8-10,13H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyXMWVDFXRWUVHDB-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.03
Rot. Bonds4

About 2-tert-butyl-6-chloro-N-(dicyclopropylmethyl)pyrimidin-4-amine

2-tert-butyl-6-chloro-N-(dicyclopropylmethyl)pyrimidin-4-amine (PubChem CID 80953223) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(dicyclopropylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(dicyclopropylmethyl)pyrimidin-4-amine
PubChem CID80953223
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-tert-butyl-6-chloro-N-(dicyclopropylmethyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(Cl)cc(NC(C2CC2)C2CC2)n1
InChIInChI=1S/C15H22ClN3/c1-15(2,3)14-17-11(16)8-12(19-14)18-13(9-4-5-9)10-6-7-10/h8-10,13H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyXMWVDFXRWUVHDB-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-6-chloro-N-(1-cyclohexylethyl)pyrimidin-4-amine
CID 80950970
N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
2-tert-butyl-6-chloro-N-(thiolan-3-yl)pyrimidin-4-amine
CID 103064299
4-N-(dicyclopropylmethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771247
2-tert-butyl-6-chloro-N-(2-methyloxolan-3-yl)pyrimidin-4-amine
CID 82729410
2-tert-butyl-6-chloro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine
CID 80953409
2-tert-butyl-4-chloro-6-cyclopropylpyrimidine
CID 63355304
2-tert-butyl-6-chloro-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 80953646
2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80950997
2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80948792
2-tert-butyl-6-chloro-N-(oxan-3-yl)pyrimidin-4-amine
CID 80951283
2-tert-butyl-6-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 96653247

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(dicyclopropylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-(dicyclopropylmethyl)pyrimidin-4-amine (CID 80953223) is 2-tert-butyl-6-chloro-N-(dicyclopropylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(dicyclopropylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(dicyclopropylmethyl)pyrimidin-4-amine is CC(C)(C)c1nc(Cl)cc(NC(C2CC2)C2CC2)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(dicyclopropylmethyl)pyrimidin-4-amine?
The InChIKey is XMWVDFXRWUVHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-15(2,3)14-17-11(16)8-12(19-14)18-13(9-4-5-9)10-6-7-10/h8-10,13H,4-7H2,1-3H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-6-chloro-N-(dicyclopropylmethyl)pyrimidin-4-amine?
2-tert-butyl-6-chloro-N-(dicyclopropylmethyl)pyrimidin-4-amine has a molecular weight of 279.81 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(dicyclopropylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80953223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).