6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine

C15H25ClN4 — CID 63729469

IUPAC6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC(C)CN1CCCCC1
InChIInChI=1S/C15H25ClN4/c1-3-7-13-14(16)17-11-18-15(13)19-12(2)10-20-8-5-4-6-9-20/h11-12H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyILILSTPQWUXJBF-UHFFFAOYSA-N
MW296.85 g/mol
LogP3.37
Rot. Bonds6

About 6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine

6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine (PubChem CID 63729469) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine
PubChem CID63729469
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC(C)CN1CCCCC1
InChIInChI=1S/C15H25ClN4/c1-3-7-13-14(16)17-11-18-15(13)19-12(2)10-20-8-5-4-6-9-20/h11-12H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyILILSTPQWUXJBF-UHFFFAOYSA-N
XLogP3.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine (CID 63729469) is 6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1NC(C)CN1CCCCC1.
What is the InChIKey of 6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine?
The InChIKey is ILILSTPQWUXJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-3-7-13-14(16)17-11-18-15(13)19-12(2)10-20-8-5-4-6-9-20/h11-12H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine?
6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine has a molecular weight of 296.85 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 63729469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).