(2S)-N-[[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]methyl]-N-methyloxolane-2-carboxamide

C18H23N5O3 — CID 92554610

IUPAC(2S)-N-[[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]methyl]-N-methyloxolane-2-carboxamide
SMILESCc1cc(-c2cnc(NC3CC3)nc2CN(C)C(=O)[C@@H]2CCCO2)on1
InChIInChI=1S/C18H23N5O3/c1-11-8-16(26-22-11)13-9-19-18(20-12-5-6-12)21-14(13)10-23(2)17(24)15-4-3-7-25-15/h8-9,12,15H,3-7,10H2,1-2H3,(H,19,20,21)/t15-/m0/s1
InChIKeyGPKCUCTXPXRALA-HNNXBMFYSA-N
MW357.41 g/mol
LogP2.15
Rot. Bonds6

About (2S)-N-[[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]methyl]-N-methyloxolane-2-carboxamide

(2S)-N-[[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]methyl]-N-methyloxolane-2-carboxamide (PubChem CID 92554610) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2S)-N-[[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]methyl]-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]methyl]-N-methyloxolane-2-carboxamide
PubChem CID92554610
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(2S)-N-[[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]methyl]-N-methyloxolane-2-carboxamide
SMILESCc1cc(-c2cnc(NC3CC3)nc2CN(C)C(=O)[C@@H]2CCCO2)on1
InChIInChI=1S/C18H23N5O3/c1-11-8-16(26-22-11)13-9-19-18(20-12-5-6-12)21-14(13)10-23(2)17(24)15-4-3-7-25-15/h8-9,12,15H,3-7,10H2,1-2H3,(H,19,20,21)/t15-/m0/s1
InChIKeyGPKCUCTXPXRALA-HNNXBMFYSA-N
XLogP2.15
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]methyl]-N-methyloxolane-2-carboxamide?
The IUPAC name of (2S)-N-[[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]methyl]-N-methyloxolane-2-carboxamide (CID 92554610) is (2S)-N-[[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]methyl]-N-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]methyl]-N-methyloxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]methyl]-N-methyloxolane-2-carboxamide is Cc1cc(-c2cnc(NC3CC3)nc2CN(C)C(=O)[C@@H]2CCCO2)on1.
What is the InChIKey of (2S)-N-[[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]methyl]-N-methyloxolane-2-carboxamide?
The InChIKey is GPKCUCTXPXRALA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-11-8-16(26-22-11)13-9-19-18(20-12-5-6-12)21-14(13)10-23(2)17(24)15-4-3-7-25-15/h8-9,12,15H,3-7,10H2,1-2H3,(H,19,20,21)/t15-/m0/s1.
What are the key properties of (2S)-N-[[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]methyl]-N-methyloxolane-2-carboxamide?
(2S)-N-[[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]methyl]-N-methyloxolane-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]methyl]-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 92554610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).