N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine

C12H14ClN3S — CID 114276507

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine
SMILESCCc1nc(C)cc(NCc2ccc(Cl)s2)n1
InChIInChI=1S/C12H14ClN3S/c1-3-11-15-8(2)6-12(16-11)14-7-9-4-5-10(13)17-9/h4-6H,3,7H2,1-2H3,(H,14,15,16)
InChIKeyMRHLEMQPHFPLCI-UHFFFAOYSA-N
MW267.79 g/mol
LogP3.67
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine

N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine (PubChem CID 114276507) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine
PubChem CID114276507
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine
SMILESCCc1nc(C)cc(NCc2ccc(Cl)s2)n1
InChIInChI=1S/C12H14ClN3S/c1-3-11-15-8(2)6-12(16-11)14-7-9-4-5-10(13)17-9/h4-6H,3,7H2,1-2H3,(H,14,15,16)
InChIKeyMRHLEMQPHFPLCI-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(5-chlorothiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80836366
4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80939996
N-(2-chloropropyl)-2-ethyl-6-methylpyrimidin-4-amine
CID 130512726
6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine
CID 80933820
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
2-N-[(5-chlorothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine
CID 81132227
2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine
CID 130512695
6-chloro-2-(ethoxymethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 113400943
2-ethyl-6-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine
CID 50969409
N-[(5-chlorothiophen-2-yl)methyl]-6-fluoropyridin-2-amine
CID 61397845
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599768
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 115924701

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine (CID 114276507) is N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine is CCc1nc(C)cc(NCc2ccc(Cl)s2)n1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is MRHLEMQPHFPLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-3-11-15-8(2)6-12(16-11)14-7-9-4-5-10(13)17-9/h4-6H,3,7H2,1-2H3,(H,14,15,16).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine?
N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 267.79 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 114276507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).