6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine

C15H24ClN3 — CID 114101538

IUPAC6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC1CCCC(Nc2ncnc(Cl)c2C(C)C)CC1
InChIInChI=1S/C15H24ClN3/c1-10(2)13-14(16)17-9-18-15(13)19-12-6-4-5-11(3)7-8-12/h9-12H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyKNVPPFQXUIZMHE-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.63
Rot. Bonds3

About 6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine

6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 114101538) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID114101538
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC1CCCC(Nc2ncnc(Cl)c2C(C)C)CC1
InChIInChI=1S/C15H24ClN3/c1-10(2)13-14(16)17-9-18-15(13)19-12-6-4-5-11(3)7-8-12/h9-12H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyKNVPPFQXUIZMHE-UHFFFAOYSA-N
XLogP4.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine (CID 114101538) is 6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine is CC1CCCC(Nc2ncnc(Cl)c2C(C)C)CC1.
What is the InChIKey of 6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is KNVPPFQXUIZMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-10(2)13-14(16)17-9-18-15(13)19-12-6-4-5-11(3)7-8-12/h9-12H,4-8H2,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 281.83 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 114101538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).