N-ethyl-6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine

C15H21N3S — CID 62913456

IUPACN-ethyl-6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(Cc2cccs2)nc(C)c1C(C)C
InChIInChI=1S/C15H21N3S/c1-5-16-15-14(10(2)3)11(4)17-13(18-15)9-12-7-6-8-19-12/h6-8,10H,5,9H2,1-4H3,(H,16,17,18)
InChIKeyDFJYVUPBNXFICM-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.99
Rot. Bonds5

About N-ethyl-6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine

N-ethyl-6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 62913456) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-ethyl-6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID62913456
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-ethyl-6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(Cc2cccs2)nc(C)c1C(C)C
InChIInChI=1S/C15H21N3S/c1-5-16-15-14(10(2)3)11(4)17-13(18-15)9-12-7-6-8-19-12/h6-8,10H,5,9H2,1-4H3,(H,16,17,18)
InChIKeyDFJYVUPBNXFICM-UHFFFAOYSA-N
XLogP3.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-yl]hydrazine
CID 62915896
5-bromo-N-ethyl-6-methyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66306673
5-bromo-6-methyl-N-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66304693
N-ethyl-6-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 62913834
(1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine
CID 94587586
5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66305557
5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine
CID 66294351
N,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62502874
N-[[4,6-dimethyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62746521
4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-amine
CID 130483640
6-ethyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 62503227
6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80994262

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 62913456) is N-ethyl-6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine is CCNc1nc(Cc2cccs2)nc(C)c1C(C)C.
What is the InChIKey of N-ethyl-6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is DFJYVUPBNXFICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-5-16-15-14(10(2)3)11(4)17-13(18-15)9-12-7-6-8-19-12/h6-8,10H,5,9H2,1-4H3,(H,16,17,18).
What are the key properties of N-ethyl-6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine?
N-ethyl-6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 275.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 62913456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).