N-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine

C10H13N5S2 — CID 80894891

IUPACN-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
SMILESCNc1ncnc(Sc2ncns2)c1C(C)C
InChIInChI=1S/C10H13N5S2/c1-6(2)7-8(11-3)12-4-13-9(7)16-10-14-5-15-17-10/h4-6H,1-3H3,(H,11,12,13)
InChIKeyCNDUVFDUFALSHK-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.64
Rot. Bonds4

About N-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine

N-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine (PubChem CID 80894891) has the molecular formula C10H13N5S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
PubChem CID80894891
Molecular FormulaC10H13N5S2
Molecular Weight267.38 g/mol
Exact Mass267.06
IUPAC NameN-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
SMILESCNc1ncnc(Sc2ncns2)c1C(C)C
InChIInChI=1S/C10H13N5S2/c1-6(2)7-8(11-3)12-4-13-9(7)16-10-14-5-15-17-10/h4-6H,1-3H3,(H,11,12,13)
InChIKeyCNDUVFDUFALSHK-UHFFFAOYSA-N
XLogP2.64
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-5-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 80882839
N-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80888546
N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine
CID 106928279
N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 80892659
N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 115384440
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 80895438
5-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80930893
6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80889774
N,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894498
[6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80923681
2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 63731024
3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol
CID 106288894

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine (CID 80894891) is N-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine is CNc1ncnc(Sc2ncns2)c1C(C)C.
What is the InChIKey of N-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is CNDUVFDUFALSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S2/c1-6(2)7-8(11-3)12-4-13-9(7)16-10-14-5-15-17-10/h4-6H,1-3H3,(H,11,12,13).
What are the key properties of N-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine?
N-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 80894891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).