2-methyl-N-(thiolan-3-yl)pyrido[2,3-d]pyrimidin-4-amine

C12H14N4S — CID 72873766

IUPAC2-methyl-N-(thiolan-3-yl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NC2CCSC2)c2cccnc2n1
InChIInChI=1S/C12H14N4S/c1-8-14-11-10(3-2-5-13-11)12(15-8)16-9-4-6-17-7-9/h2-3,5,9H,4,6-7H2,1H3,(H,13,14,15,16)
InChIKeyDNMNIVHETWIMOP-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.25
Rot. Bonds2

About 2-methyl-N-(thiolan-3-yl)pyrido[2,3-d]pyrimidin-4-amine

2-methyl-N-(thiolan-3-yl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 72873766) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-methyl-N-(thiolan-3-yl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(thiolan-3-yl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID72873766
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name2-methyl-N-(thiolan-3-yl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NC2CCSC2)c2cccnc2n1
InChIInChI=1S/C12H14N4S/c1-8-14-11-10(3-2-5-13-11)12(15-8)16-9-4-6-17-7-9/h2-3,5,9H,4,6-7H2,1H3,(H,13,14,15,16)
InChIKeyDNMNIVHETWIMOP-UHFFFAOYSA-N
XLogP2.25
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thiolan-3-yl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(thiolan-3-yl)pyrido[2,3-d]pyrimidin-4-amine (CID 72873766) is 2-methyl-N-(thiolan-3-yl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(thiolan-3-yl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(thiolan-3-yl)pyrido[2,3-d]pyrimidin-4-amine is Cc1nc(NC2CCSC2)c2cccnc2n1.
What is the InChIKey of 2-methyl-N-(thiolan-3-yl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is DNMNIVHETWIMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-8-14-11-10(3-2-5-13-11)12(15-8)16-9-4-6-17-7-9/h2-3,5,9H,4,6-7H2,1H3,(H,13,14,15,16).
What are the key properties of 2-methyl-N-(thiolan-3-yl)pyrido[2,3-d]pyrimidin-4-amine?
2-methyl-N-(thiolan-3-yl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 246.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thiolan-3-yl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 72873766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).