4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine

C10H12N4S — CID 80818112

IUPAC4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccc(CNc2ccnc(N)n2)s1
InChIInChI=1S/C10H12N4S/c1-7-2-3-8(15-7)6-13-9-4-5-12-10(11)14-9/h2-5H,6H2,1H3,(H3,11,12,13,14)
InChIKeyZDABPDYGUMSFEF-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.04
Rot. Bonds3

About 4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine

4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80818112) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80818112
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccc(CNc2ccnc(N)n2)s1
InChIInChI=1S/C10H12N4S/c1-7-2-3-8(15-7)6-13-9-4-5-12-10(11)14-9/h2-5H,6H2,1H3,(H3,11,12,13,14)
InChIKeyZDABPDYGUMSFEF-UHFFFAOYSA-N
XLogP2.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine
CID 79825619
N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 60962238
2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine
CID 78988898
4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine
CID 80851768
2-N-[(5-methylthiophen-2-yl)methyl]quinoline-2,6-diamine
CID 62057050
2-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3-diamine
CID 62058092
4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80831876
6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80817701
6-[(5-methylthiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 64596062
6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718258
N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 62057971
5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 63208187

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine (CID 80818112) is 4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine is Cc1ccc(CNc2ccnc(N)n2)s1.
What is the InChIKey of 4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is ZDABPDYGUMSFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-7-2-3-8(15-7)6-13-9-4-5-12-10(11)14-9/h2-5H,6H2,1H3,(H3,11,12,13,14).
What are the key properties of 4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine?
4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 220.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80818112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).