6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine

C20H21N9O — CID 11373058

IUPAC6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(N2CCC[C@H]2c2cc(-c3cnccn3)no2)n1
InChIInChI=1S/C20H21N9O/c1-12-8-18(24-19-9-13(2)26-27-19)25-20(23-12)29-7-3-4-16(29)17-10-14(28-30-17)15-11-21-5-6-22-15/h5-6,8-11,16H,3-4,7H2,1-2H3,(H2,23,24,25,26,27)/t16-/m0/s1
InChIKeyQZINUMPKNSVWOC-INIZCTEOSA-N
MW403.45 g/mol
LogP3.35
Rot. Bonds5

About 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine

6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 11373058) has the molecular formula C20H21N9O and a molecular weight of 403.45 g/mol. Its IUPAC name is 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID11373058
Molecular FormulaC20H21N9O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(N2CCC[C@H]2c2cc(-c3cnccn3)no2)n1
InChIInChI=1S/C20H21N9O/c1-12-8-18(24-19-9-13(2)26-27-19)25-20(23-12)29-7-3-4-16(29)17-10-14(28-30-17)15-11-21-5-6-22-15/h5-6,8-11,16H,3-4,7H2,1-2H3,(H2,23,24,25,26,27)/t16-/m0/s1
InChIKeyQZINUMPKNSVWOC-INIZCTEOSA-N
XLogP3.35
TPSA121.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine (CID 11373058) is 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine is Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCC[C@H]2c2cc(-c3cnccn3)no2)n1.
What is the InChIKey of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is QZINUMPKNSVWOC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21N9O/c1-12-8-18(24-19-9-13(2)26-27-19)25-20(23-12)29-7-3-4-16(29)17-10-14(28-30-17)15-11-21-5-6-22-15/h5-6,8-11,16H,3-4,7H2,1-2H3,(H2,23,24,25,26,27)/t16-/m0/s1.
What are the key properties of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 403.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 11373058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).