N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine

C15H21N5S — CID 133413104

IUPACN-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCN(CCc1nccs1)c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C15H21N5S/c1-19(9-5-15-16-6-10-21-15)13-11-14(18-12-17-13)20-7-3-2-4-8-20/h6,10-12H,2-5,7-9H2,1H3
InChIKeyZVMVCWLJNKLORL-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.60
Rot. Bonds5

About N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine

N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 133413104) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID133413104
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC NameN-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCN(CCc1nccs1)c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C15H21N5S/c1-19(9-5-15-16-6-10-21-15)13-11-14(18-12-17-13)20-7-3-2-4-8-20/h6,10-12H,2-5,7-9H2,1H3
InChIKeyZVMVCWLJNKLORL-UHFFFAOYSA-N
XLogP2.60
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (CID 133413104) is N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is CN(CCc1nccs1)c1cc(N2CCCCC2)ncn1.
What is the InChIKey of N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is ZVMVCWLJNKLORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-19(9-5-15-16-6-10-21-15)13-11-14(18-12-17-13)20-7-3-2-4-8-20/h6,10-12H,2-5,7-9H2,1H3.
What are the key properties of N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 303.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 133413104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).