4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine

C14H19N3S — CID 113491500

IUPAC4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine
SMILESCc1cc(C(C)C)nc(NC(C)c2ccsc2)n1
InChIInChI=1S/C14H19N3S/c1-9(2)13-7-10(3)15-14(17-13)16-11(4)12-5-6-18-8-12/h5-9,11H,1-4H3,(H,15,16,17)
InChIKeyAIWOQRBPOVVUNP-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.14
Rot. Bonds4

About 4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine

4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine (PubChem CID 113491500) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine
PubChem CID113491500
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine
SMILESCc1cc(C(C)C)nc(NC(C)c2ccsc2)n1
InChIInChI=1S/C14H19N3S/c1-9(2)13-7-10(3)15-14(17-13)16-11(4)12-5-6-18-8-12/h5-9,11H,1-4H3,(H,15,16,17)
InChIKeyAIWOQRBPOVVUNP-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(1-thiophen-3-ylethyl)-1,3-thiazol-2-amine
CID 62842792
4,6-dimethyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbonitrile
CID 62840867
N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849
4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80825243
2-propan-2-yl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80957246
3-methyl-N-(1-thiophen-3-ylethyl)quinolin-2-amine
CID 63229433
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
4-N,4-N-diethyl-6-hydrazinyl-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80904735
N-(1-thiophen-3-ylethyl)aniline
CID 62090283
2-propan-2-yl-4-(1-thiophen-3-ylethylamino)-1H-pyrimidin-6-one
CID 136975508
5-methoxy-2-methyl-N-(1-thiophen-3-ylethyl)pyridin-4-amine
CID 106660484
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine (CID 113491500) is 4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine is Cc1cc(C(C)C)nc(NC(C)c2ccsc2)n1.
What is the InChIKey of 4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine?
The InChIKey is AIWOQRBPOVVUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-9(2)13-7-10(3)15-14(17-13)16-11(4)12-5-6-18-8-12/h5-9,11H,1-4H3,(H,15,16,17).
What are the key properties of 4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine?
4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine has a molecular weight of 261.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 113491500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).