N-[6-[(3S)-1-ethylpyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine

C15H21N5S — CID 124985635

IUPACN-[6-[(3S)-1-ethylpyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCCN1CC[C@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1
InChIInChI=1S/C15H21N5S/c1-4-20-6-5-12(8-20)13-7-14(18-11(3)17-13)19-15-16-10(2)9-21-15/h7,9,12H,4-6,8H2,1-3H3,(H,16,17,18,19)/t12-/m0/s1
InChIKeyNTCJVWFUVOWCJK-LBPRGKRZSA-N
MW303.44 g/mol
LogP3.10
Rot. Bonds4

About N-[6-[(3S)-1-ethylpyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine

N-[6-[(3S)-1-ethylpyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 124985635) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is N-[6-[(3S)-1-ethylpyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[(3S)-1-ethylpyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID124985635
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC NameN-[6-[(3S)-1-ethylpyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCCN1CC[C@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1
InChIInChI=1S/C15H21N5S/c1-4-20-6-5-12(8-20)13-7-14(18-11(3)17-13)19-15-16-10(2)9-21-15/h7,9,12H,4-6,8H2,1-3H3,(H,16,17,18,19)/t12-/m0/s1
InChIKeyNTCJVWFUVOWCJK-LBPRGKRZSA-N
XLogP3.10
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(3S)-1-ethylpyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[(3S)-1-ethylpyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine (CID 124985635) is N-[6-[(3S)-1-ethylpyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-[(3S)-1-ethylpyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[(3S)-1-ethylpyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine is CCN1CC[C@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1.
What is the InChIKey of N-[6-[(3S)-1-ethylpyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is NTCJVWFUVOWCJK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5S/c1-4-20-6-5-12(8-20)13-7-14(18-11(3)17-13)19-15-16-10(2)9-21-15/h7,9,12H,4-6,8H2,1-3H3,(H,16,17,18,19)/t12-/m0/s1.
What are the key properties of N-[6-[(3S)-1-ethylpyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
N-[6-[(3S)-1-ethylpyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 303.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3S)-1-ethylpyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 124985635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).