6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

C12H14ClN3S — CID 63730106

IUPAC6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1N(C)Cc1ccsc1
InChIInChI=1S/C12H14ClN3S/c1-3-10-11(13)14-8-15-12(10)16(2)6-9-4-5-17-7-9/h4-5,7-8H,3,6H2,1-2H3
InChIKeyMSILBKDMNCMMQA-UHFFFAOYSA-N
MW267.79 g/mol
LogP3.39
Rot. Bonds4

About 6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (PubChem CID 63730106) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
PubChem CID63730106
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC Name6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1N(C)Cc1ccsc1
InChIInChI=1S/C12H14ClN3S/c1-3-10-11(13)14-8-15-12(10)16(2)6-9-4-5-17-7-9/h4-5,7-8H,3,6H2,1-2H3
InChIKeyMSILBKDMNCMMQA-UHFFFAOYSA-N
XLogP3.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80781371
N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine
CID 63735417
N-benzyl-6-chloro-N-methyl-5-propylpyrimidin-4-amine
CID 63735238
N-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine
CID 63729447
4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107055137
6-N-ethyl-4-N-methyl-5-nitro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80782374
5-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 80628754
5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62750166
3-chloro-N'-hydroxy-2-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739301
2-chloro-N-methyl-N-(thiophen-3-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 114268192
3-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62278909
5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107080224

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (CID 63730106) is 6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is CCc1c(Cl)ncnc1N(C)Cc1ccsc1.
What is the InChIKey of 6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is MSILBKDMNCMMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-3-10-11(13)14-8-15-12(10)16(2)6-9-4-5-17-7-9/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 267.79 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 63730106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).