N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine

C20H19N5OS — CID 95800147

IUPACN-[(2S)-4-(furan-2-yl)butan-2-yl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
SMILESC[C@@H](CCc1ccco1)Nc1ncc(-c2cnccn2)c(-c2cccs2)n1
InChIInChI=1S/C20H19N5OS/c1-14(6-7-15-4-2-10-26-15)24-20-23-12-16(17-13-21-8-9-22-17)19(25-20)18-5-3-11-27-18/h2-5,8-14H,6-7H2,1H3,(H,23,24,25)/t14-/m0/s1
InChIKeyDLYSQWWZXPJWPR-AWEZNQCLSA-N
MW377.47 g/mol
LogP4.69
Rot. Bonds7

About N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine

N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine (PubChem CID 95800147) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2S)-4-(furan-2-yl)butan-2-yl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
PubChem CID95800147
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC NameN-[(2S)-4-(furan-2-yl)butan-2-yl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
SMILESC[C@@H](CCc1ccco1)Nc1ncc(-c2cnccn2)c(-c2cccs2)n1
InChIInChI=1S/C20H19N5OS/c1-14(6-7-15-4-2-10-26-15)24-20-23-12-16(17-13-21-8-9-22-17)19(25-20)18-5-3-11-27-18/h2-5,8-14H,6-7H2,1H3,(H,23,24,25)/t14-/m0/s1
InChIKeyDLYSQWWZXPJWPR-AWEZNQCLSA-N
XLogP4.69
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methoxyphenyl)methyl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 95800143
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804357
N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62860172
4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine
CID 62961372
2-[4-(furan-2-yl)butan-2-ylamino]-1-thiophen-2-ylethanol
CID 54968018
5-chloro-2-N-ethyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-2,4-diamine
CID 80805349
N-[4-(furan-2-yl)butan-2-yl]-6-pyrazol-1-ylpyrazin-2-amine
CID 71940133
4-pyrazin-2-yl-5-thiophen-2-yl-1,2-oxazole
CID 73439763
N-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106959609
2-N-[4-(furan-2-yl)butan-2-yl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804354
6-[4-(furan-2-yl)butan-2-ylamino]pyrazine-2-carboxylic acid
CID 66449084
5-(ethylaminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-1,3,4-oxadiazol-2-amine
CID 106959619

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine (CID 95800147) is N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine is C[C@@H](CCc1ccco1)Nc1ncc(-c2cnccn2)c(-c2cccs2)n1.
What is the InChIKey of N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is DLYSQWWZXPJWPR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-14(6-7-15-4-2-10-26-15)24-20-23-12-16(17-13-21-8-9-22-17)19(25-20)18-5-3-11-27-18/h2-5,8-14H,6-7H2,1H3,(H,23,24,25)/t14-/m0/s1.
What are the key properties of N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine?
N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 377.47 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 95800147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).