4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine

C16H23N5S — CID 141402801

IUPAC4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCCCc1cc(N2CCC(NCc3cccs3)C2)nc(N)n1
InChIInChI=1S/C16H23N5S/c1-2-4-12-9-15(20-16(17)19-12)21-7-6-13(11-21)18-10-14-5-3-8-22-14/h3,5,8-9,13,18H,2,4,6-7,10-11H2,1H3,(H2,17,19,20)
InChIKeyWHYFVAADXMMFHS-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.44
Rot. Bonds6

About 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine

4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 141402801) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID141402801
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC Name4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCCCc1cc(N2CCC(NCc3cccs3)C2)nc(N)n1
InChIInChI=1S/C16H23N5S/c1-2-4-12-9-15(20-16(17)19-12)21-7-6-13(11-21)18-10-14-5-3-8-22-14/h3,5,8-9,13,18H,2,4,6-7,10-11H2,1H3,(H2,17,19,20)
InChIKeyWHYFVAADXMMFHS-UHFFFAOYSA-N
XLogP2.44
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 71980333
4-[3-(methylamino)pyrrolidin-1-yl]-6-thiophen-2-ylpyrimidin-2-amine
CID 71427413
4-piperidin-1-yl-6-propylpyrimidin-2-amine
CID 172740401
4-N-(3-chlorophenyl)-6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 90846608
4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 24995881
1-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 115618481
4-[3-(ethylamino)azetidin-1-yl]-6-[(pentylamino)methyl]pyrimidin-2-amine
CID 142766593
2-[(2S)-4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 95870446
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950
1-(6-methoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 126465178
cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 95376419
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine
CID 43327642

Frequently Asked Questions

What is the IUPAC name of 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine (CID 141402801) is 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine is CCCc1cc(N2CCC(NCc3cccs3)C2)nc(N)n1.
What is the InChIKey of 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is WHYFVAADXMMFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5S/c1-2-4-12-9-15(20-16(17)19-12)21-7-6-13(11-21)18-10-14-5-3-8-22-14/h3,5,8-9,13,18H,2,4,6-7,10-11H2,1H3,(H2,17,19,20).
What are the key properties of 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 317.46 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-6-[3-(thiophen-2-ylmethylamino)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 141402801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).