4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine

C13H21ClN4 — CID 80817865

IUPAC4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine
SMILESCC(C)(C)C1CCN(c2nc(N)ncc2Cl)CC1
InChIInChI=1S/C13H21ClN4/c1-13(2,3)9-4-6-18(7-5-9)11-10(14)8-16-12(15)17-11/h8-9H,4-7H2,1-3H3,(H2,15,16,17)
InChIKeyRCGOBLMDADFQKV-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.97
Rot. Bonds1

About 4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine

4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine (PubChem CID 80817865) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine
PubChem CID80817865
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine
SMILESCC(C)(C)C1CCN(c2nc(N)ncc2Cl)CC1
InChIInChI=1S/C13H21ClN4/c1-13(2,3)9-4-6-18(7-5-9)11-10(14)8-16-12(15)17-11/h8-9H,4-7H2,1-3H3,(H2,15,16,17)
InChIKeyRCGOBLMDADFQKV-UHFFFAOYSA-N
XLogP2.97
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine?
The IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine (CID 80817865) is 4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine.
What is the SMILES notation for 4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine?
The canonical SMILES for 4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine is CC(C)(C)C1CCN(c2nc(N)ncc2Cl)CC1.
What is the InChIKey of 4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine?
The InChIKey is RCGOBLMDADFQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-13(2,3)9-4-6-18(7-5-9)11-10(14)8-16-12(15)17-11/h8-9H,4-7H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine?
4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine has a molecular weight of 268.79 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine is sourced from PubChem (CID 80817865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).