N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine

C16H22N6S — CID 126890525

IUPACN-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(N(C2CC2)C2CCN(c3nnc(C)s3)CC2)ncn1
InChIInChI=1S/C16H22N6S/c1-11-9-15(18-10-17-11)22(13-3-4-13)14-5-7-21(8-6-14)16-20-19-12(2)23-16/h9-10,13-14H,3-8H2,1-2H3
InChIKeyOSSRCCCXVJANCB-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.58
Rot. Bonds4

About N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine

N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126890525) has the molecular formula C16H22N6S and a molecular weight of 330.46 g/mol. Its IUPAC name is N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126890525
Molecular FormulaC16H22N6S
Molecular Weight330.46 g/mol
Exact Mass330.16
IUPAC NameN-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(N(C2CC2)C2CCN(c3nnc(C)s3)CC2)ncn1
InChIInChI=1S/C16H22N6S/c1-11-9-15(18-10-17-11)22(13-3-4-13)14-5-7-21(8-6-14)16-20-19-12(2)23-16/h9-10,13-14H,3-8H2,1-2H3
InChIKeyOSSRCCCXVJANCB-UHFFFAOYSA-N
XLogP2.58
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine (CID 126890525) is N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine is Cc1cc(N(C2CC2)C2CCN(c3nnc(C)s3)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is OSSRCCCXVJANCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6S/c1-11-9-15(18-10-17-11)22(13-3-4-13)14-5-7-21(8-6-14)16-20-19-12(2)23-16/h9-10,13-14H,3-8H2,1-2H3.
What are the key properties of N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine?
N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 330.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126890525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).