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

C14H18ClN3S — CID 80953358

IUPAC6-chloro-N-ethyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCCN(Cc1cccs1)c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C14H18ClN3S/c1-4-18(9-11-6-5-7-19-11)13-8-12(15)16-14(17-13)10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyGXAZCYBBUUNUJW-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.34
Rot. Bonds5

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

6-chloro-N-ethyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80953358) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 6-chloro-N-ethyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID80953358
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name6-chloro-N-ethyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCCN(Cc1cccs1)c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C14H18ClN3S/c1-4-18(9-11-6-5-7-19-11)13-8-12(15)16-14(17-13)10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyGXAZCYBBUUNUJW-UHFFFAOYSA-N
XLogP4.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80938995
N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 133334503
6-chloro-N-ethyl-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953498
4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61438001
4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80933060
4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564361
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
2-N,6-N-diethyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 80798911
1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 61436988
4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 64542947
6-chloro-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799671

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 80953358) is 6-chloro-N-ethyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is CCN(Cc1cccs1)c1cc(Cl)nc(C(C)C)n1.
What is the InChIKey of 6-chloro-N-ethyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is GXAZCYBBUUNUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-4-18(9-11-6-5-7-19-11)13-8-12(15)16-14(17-13)10(2)3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 6-chloro-N-ethyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
6-chloro-N-ethyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 295.84 g/mol, XLogP of 4.34, 5 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-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80953358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).