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

C10H11ClN4S — CID 63023616

IUPAC6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine
SMILESCc1ccc(CNc2ncnc(Cl)c2N)s1
InChIInChI=1S/C10H11ClN4S/c1-6-2-3-7(16-6)4-13-10-8(12)9(11)14-5-15-10/h2-3,5H,4,12H2,1H3,(H,13,14,15)
InChIKeyGABIGSCEAXQLRD-UHFFFAOYSA-N
MW254.75 g/mol
LogP2.69
Rot. Bonds3

About 6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine

6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine (PubChem CID 63023616) has the molecular formula C10H11ClN4S and a molecular weight of 254.75 g/mol. Its IUPAC name is 6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine
PubChem CID63023616
Molecular FormulaC10H11ClN4S
Molecular Weight254.75 g/mol
Exact Mass254.04
IUPAC Name6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine
SMILESCc1ccc(CNc2ncnc(Cl)c2N)s1
InChIInChI=1S/C10H11ClN4S/c1-6-2-3-7(16-6)4-13-10-8(12)9(11)14-5-15-10/h2-3,5H,4,12H2,1H3,(H,13,14,15)
InChIKeyGABIGSCEAXQLRD-UHFFFAOYSA-N
XLogP2.69
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine (CID 63023616) is 6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine is Cc1ccc(CNc2ncnc(Cl)c2N)s1.
What is the InChIKey of 6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine?
The InChIKey is GABIGSCEAXQLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S/c1-6-2-3-7(16-6)4-13-10-8(12)9(11)14-5-15-10/h2-3,5H,4,12H2,1H3,(H,13,14,15).
What are the key properties of 6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine?
6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine has a molecular weight of 254.75 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 63023616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).