N-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine

C11H13N3S — CID 107587733

IUPACN-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine
SMILESCc1cc(CNc2cncnc2)c(C)s1
InChIInChI=1S/C11H13N3S/c1-8-3-10(9(2)15-8)4-14-11-5-12-7-13-6-11/h3,5-7,14H,4H2,1-2H3
InChIKeyVWYIJEIPWVUGHS-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.77
Rot. Bonds3

About N-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine

N-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine (PubChem CID 107587733) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine
PubChem CID107587733
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine
SMILESCc1cc(CNc2cncnc2)c(C)s1
InChIInChI=1S/C11H13N3S/c1-8-3-10(9(2)15-8)4-14-11-5-12-7-13-6-11/h3,5-7,14H,4H2,1-2H3
InChIKeyVWYIJEIPWVUGHS-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine (CID 107587733) is N-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine is Cc1cc(CNc2cncnc2)c(C)s1.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine?
The InChIKey is VWYIJEIPWVUGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8-3-10(9(2)15-8)4-14-11-5-12-7-13-6-11/h3,5-7,14H,4H2,1-2H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine?
N-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine has a molecular weight of 219.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine is sourced from PubChem (CID 107587733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).