N-(1-tert-butylpiperidin-4-yl)-6-chloro-5-ethyl-2-methylpyrimidin-4-amine

C16H27ClN4 — CID 133318911

IUPACN-(1-tert-butylpiperidin-4-yl)-6-chloro-5-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1c(Cl)nc(C)nc1NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H27ClN4/c1-6-13-14(17)18-11(2)19-15(13)20-12-7-9-21(10-8-12)16(3,4)5/h12H,6-10H2,1-5H3,(H,18,19,20)
InChIKeyMTLBQISTAMBPNK-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.68
Rot. Bonds3

About N-(1-tert-butylpiperidin-4-yl)-6-chloro-5-ethyl-2-methylpyrimidin-4-amine

N-(1-tert-butylpiperidin-4-yl)-6-chloro-5-ethyl-2-methylpyrimidin-4-amine (PubChem CID 133318911) has the molecular formula C16H27ClN4 and a molecular weight of 310.87 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-4-yl)-6-chloro-5-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-4-yl)-6-chloro-5-ethyl-2-methylpyrimidin-4-amine
PubChem CID133318911
Molecular FormulaC16H27ClN4
Molecular Weight310.87 g/mol
Exact Mass310.19
IUPAC NameN-(1-tert-butylpiperidin-4-yl)-6-chloro-5-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1c(Cl)nc(C)nc1NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H27ClN4/c1-6-13-14(17)18-11(2)19-15(13)20-12-7-9-21(10-8-12)16(3,4)5/h12H,6-10H2,1-5H3,(H,18,19,20)
InChIKeyMTLBQISTAMBPNK-UHFFFAOYSA-N
XLogP3.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-4-yl)-6-chloro-5-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-(1-tert-butylpiperidin-4-yl)-6-chloro-5-ethyl-2-methylpyrimidin-4-amine (CID 133318911) is N-(1-tert-butylpiperidin-4-yl)-6-chloro-5-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1-tert-butylpiperidin-4-yl)-6-chloro-5-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(1-tert-butylpiperidin-4-yl)-6-chloro-5-ethyl-2-methylpyrimidin-4-amine is CCc1c(Cl)nc(C)nc1NC1CCN(C(C)(C)C)CC1.
What is the InChIKey of N-(1-tert-butylpiperidin-4-yl)-6-chloro-5-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is MTLBQISTAMBPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN4/c1-6-13-14(17)18-11(2)19-15(13)20-12-7-9-21(10-8-12)16(3,4)5/h12H,6-10H2,1-5H3,(H,18,19,20).
What are the key properties of N-(1-tert-butylpiperidin-4-yl)-6-chloro-5-ethyl-2-methylpyrimidin-4-amine?
N-(1-tert-butylpiperidin-4-yl)-6-chloro-5-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 310.87 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-4-yl)-6-chloro-5-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 133318911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).