5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine

C10H11ClN4S — CID 80781687

IUPAC5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(Cc1cccs1)c1nc(N)ncc1Cl
InChIInChI=1S/C10H11ClN4S/c1-15(6-7-3-2-4-16-7)9-8(11)5-13-10(12)14-9/h2-5H,6H2,1H3,(H2,12,13,14)
InChIKeyPHBDFKBHAYFZPU-UHFFFAOYSA-N
MW254.75 g/mol
LogP2.41
Rot. Bonds3

About 5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine

5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80781687) has the molecular formula C10H11ClN4S and a molecular weight of 254.75 g/mol. Its IUPAC name is 5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80781687
Molecular FormulaC10H11ClN4S
Molecular Weight254.75 g/mol
Exact Mass254.04
IUPAC Name5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(Cc1cccs1)c1nc(N)ncc1Cl
InChIInChI=1S/C10H11ClN4S/c1-15(6-7-3-2-4-16-7)9-8(11)5-13-10(12)14-9/h2-5H,6H2,1H3,(H2,12,13,14)
InChIKeyPHBDFKBHAYFZPU-UHFFFAOYSA-N
XLogP2.41
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55054537
5-chloro-4-(thiophen-2-ylmethoxy)pyrimidin-2-amine
CID 80872356
5-fluoro-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808330
2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 116796444
5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-2,5-diamine
CID 43527362
5-fluoro-2-hydrazinyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80907282
4-chloro-N-methyl-N-(thiophen-2-ylmethyl)phthalazin-1-amine
CID 55040840
3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43528549
2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 113334196
5-chloro-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80766045
4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80799680
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80799071

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine (CID 80781687) is 5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine is CN(Cc1cccs1)c1nc(N)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is PHBDFKBHAYFZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S/c1-15(6-7-3-2-4-16-7)9-8(11)5-13-10(12)14-9/h2-5H,6H2,1H3,(H2,12,13,14).
What are the key properties of 5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 254.75 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80781687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).