6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C14H18ClN3S — CID 80938995

IUPAC6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(N(CC)Cc2cccs2)n1
InChIInChI=1S/C14H18ClN3S/c1-3-6-13-16-12(15)9-14(17-13)18(4-2)10-11-7-5-8-19-11/h5,7-9H,3-4,6,10H2,1-2H3
InChIKeyNCIMSFARCQNDRB-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.17
Rot. Bonds6

About 6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80938995) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID80938995
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(N(CC)Cc2cccs2)n1
InChIInChI=1S/C14H18ClN3S/c1-3-6-13-16-12(15)9-14(17-13)18(4-2)10-11-7-5-8-19-11/h5,7-9H,3-4,6,10H2,1-2H3
InChIKeyNCIMSFARCQNDRB-UHFFFAOYSA-N
XLogP4.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-ethyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80953358
4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80933060
4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61438001
6-chloro-2-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80940460
6-chloro-N,N-bis(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 80939424
2-N,6-N-diethyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 80798911
N'-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 80939645
4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564361
2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80798994
6-chloro-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799671
2-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013460
2-chloro-4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 81152269

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 80938995) is 6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is CCCc1nc(Cl)cc(N(CC)Cc2cccs2)n1.
What is the InChIKey of 6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is NCIMSFARCQNDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-3-6-13-16-12(15)9-14(17-13)18(4-2)10-11-7-5-8-19-11/h5,7-9H,3-4,6,10H2,1-2H3.
What are the key properties of 6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 295.84 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80938995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).