6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine

C14H18N6OS — CID 171993855

IUPAC6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(c3ccnc(SC)n3)C2)ncn1
InChIInChI=1S/C14H18N6OS/c1-21-13-7-11(16-9-17-13)18-10-4-6-20(8-10)12-3-5-15-14(19-12)22-2/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,16,17,18)
InChIKeySEJSRJVHDSEHEP-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.69
Rot. Bonds5

About 6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine

6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 171993855) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is 6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID171993855
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(c3ccnc(SC)n3)C2)ncn1
InChIInChI=1S/C14H18N6OS/c1-21-13-7-11(16-9-17-13)18-10-4-6-20(8-10)12-3-5-15-14(19-12)22-2/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,16,17,18)
InChIKeySEJSRJVHDSEHEP-UHFFFAOYSA-N
XLogP1.69
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888273
N-[1-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171996361
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 171993839
N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171994045
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888037
N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888085
N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine
CID 66319421
6-methoxy-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888329
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine
CID 72915034
6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888251
N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine
CID 171995695

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine (CID 171993855) is 6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine is COc1cc(NC2CCN(c3ccnc(SC)n3)C2)ncn1.
What is the InChIKey of 6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is SEJSRJVHDSEHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-21-13-7-11(16-9-17-13)18-10-4-6-20(8-10)12-3-5-15-14(19-12)22-2/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,16,17,18).
What are the key properties of 6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 318.41 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 171993855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).