6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine

C15H24ClN3 — CID 80950784

IUPAC6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NCC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C15H24ClN3/c1-9(2)13-18-11(16)7-12(19-13)17-8-10-14(3,4)15(10,5)6/h7,9-10H,8H2,1-6H3,(H,17,18,19)
InChIKeyZCELWBZXBAVRLS-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.35
Rot. Bonds4

About 6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine

6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine (PubChem CID 80950784) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
PubChem CID80950784
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NCC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C15H24ClN3/c1-9(2)13-18-11(16)7-12(19-13)17-8-10-14(3,4)15(10,5)6/h7,9-10H,8H2,1-6H3,(H,17,18,19)
InChIKeyZCELWBZXBAVRLS-UHFFFAOYSA-N
XLogP4.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine (CID 80950784) is 6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine is CC(C)c1nc(Cl)cc(NCC2C(C)(C)C2(C)C)n1.
What is the InChIKey of 6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
The InChIKey is ZCELWBZXBAVRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-9(2)13-18-11(16)7-12(19-13)17-8-10-14(3,4)15(10,5)6/h7,9-10H,8H2,1-6H3,(H,17,18,19).
What are the key properties of 6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine has a molecular weight of 281.83 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80950784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).