4,5-dimethyl-N-[2-methyl-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

C17H25N5S — CID 124952376

IUPAC4,5-dimethyl-N-[2-methyl-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2nc(C)c(C)s2)cc([C@H]2CCN(C(C)C)C2)n1
InChIInChI=1S/C17H25N5S/c1-10(2)22-7-6-14(9-22)15-8-16(20-13(5)19-15)21-17-18-11(3)12(4)23-17/h8,10,14H,6-7,9H2,1-5H3,(H,18,19,20,21)/t14-/m0/s1
InChIKeyDNXQLWPVXCXDPC-AWEZNQCLSA-N
MW331.49 g/mol
LogP3.80
Rot. Bonds4

About 4,5-dimethyl-N-[2-methyl-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

4,5-dimethyl-N-[2-methyl-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 124952376) has the molecular formula C17H25N5S and a molecular weight of 331.49 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-methyl-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[2-methyl-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID124952376
Molecular FormulaC17H25N5S
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC Name4,5-dimethyl-N-[2-methyl-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2nc(C)c(C)s2)cc([C@H]2CCN(C(C)C)C2)n1
InChIInChI=1S/C17H25N5S/c1-10(2)22-7-6-14(9-22)15-8-16(20-13(5)19-15)21-17-18-11(3)12(4)23-17/h8,10,14H,6-7,9H2,1-5H3,(H,18,19,20,21)/t14-/m0/s1
InChIKeyDNXQLWPVXCXDPC-AWEZNQCLSA-N
XLogP3.80
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4,5-dimethyl-N-[2-methyl-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269647
4,5-dimethyl-N-(2-methyl-6-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 175662288
(E)-1-[3-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 132766865
N-[6-[(3S)-1-ethylpyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 124985635
N-[2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 110269981
2-methyl-4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(1H-pyrazol-5-yl)pyrimidine
CID 125005686
N-[2-methyl-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124987053
2-methyl-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110096032
2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine
CID 124989938
4,5-dimethyl-N-[6-methyl-2-(1-methylpiperidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110095386
2-methyl-1-[(3S)-3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 125009792
2-[3-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanol
CID 155985356

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[2-methyl-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[2-methyl-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 124952376) is 4,5-dimethyl-N-[2-methyl-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[2-methyl-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[2-methyl-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(Nc2nc(C)c(C)s2)cc([C@H]2CCN(C(C)C)C2)n1.
What is the InChIKey of 4,5-dimethyl-N-[2-methyl-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is DNXQLWPVXCXDPC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5S/c1-10(2)22-7-6-14(9-22)15-8-16(20-13(5)19-15)21-17-18-11(3)12(4)23-17/h8,10,14H,6-7,9H2,1-5H3,(H,18,19,20,21)/t14-/m0/s1.
What are the key properties of 4,5-dimethyl-N-[2-methyl-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[2-methyl-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 331.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[2-methyl-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 124952376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).