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

C19H26N6S — CID 126890598

IUPACN-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N(C2CC2)C2CCN(Cc3nnc(C4CC4)s3)CC2)ncn1
InChIInChI=1S/C19H26N6S/c1-13-10-17(21-12-20-13)25(15-4-5-15)16-6-8-24(9-7-16)11-18-22-23-19(26-18)14-2-3-14/h10,12,14-16H,2-9,11H2,1H3
InChIKeyOEFNSXFYMASCAS-UHFFFAOYSA-N
MW370.53 g/mol
LogP3.15
Rot. Bonds6

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

N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine (PubChem CID 126890598) has the molecular formula C19H26N6S and a molecular weight of 370.53 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
PubChem CID126890598
Molecular FormulaC19H26N6S
Molecular Weight370.53 g/mol
Exact Mass370.19
IUPAC NameN-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N(C2CC2)C2CCN(Cc3nnc(C4CC4)s3)CC2)ncn1
InChIInChI=1S/C19H26N6S/c1-13-10-17(21-12-20-13)25(15-4-5-15)16-6-8-24(9-7-16)11-18-22-23-19(26-18)14-2-3-14/h10,12,14-16H,2-9,11H2,1H3
InChIKeyOEFNSXFYMASCAS-UHFFFAOYSA-N
XLogP3.15
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890925
N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889416
N-cyclopropyl-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126890588
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890553
N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890525
N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890944
2-cyclopropyl-5-(piperazin-1-ylmethyl)-1,3,4-thiadiazole
CID 82287425
2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
CID 126894790
1-[2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one
CID 126890673
5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126890686
N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889315
N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890847

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine (CID 126890598) is N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine is Cc1cc(N(C2CC2)C2CCN(Cc3nnc(C4CC4)s3)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine?
The InChIKey is OEFNSXFYMASCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6S/c1-13-10-17(21-12-20-13)25(15-4-5-15)16-6-8-24(9-7-16)11-18-22-23-19(26-18)14-2-3-14/h10,12,14-16H,2-9,11H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine?
N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine has a molecular weight of 370.53 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 126890598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).