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

C20H19N7O2 — CID 69029511

IUPACN-[6-methyl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-oxazol-2-amine
SMILESCc1cc(Nc2ncco2)nc(N2CCC[C@H]2c2cc(-c3ccccn3)no2)n1
InChIInChI=1S/C20H19N7O2/c1-13-11-18(25-20-22-8-10-28-20)24-19(23-13)27-9-4-6-16(27)17-12-15(26-29-17)14-5-2-3-7-21-14/h2-3,5,7-8,10-12,16H,4,6,9H2,1H3,(H,22,23,24,25)/t16-/m0/s1
InChIKeyDILDDMHERZCAPQ-INIZCTEOSA-N
MW389.42 g/mol
LogP3.91
Rot. Bonds5

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

N-[6-methyl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-oxazol-2-amine (PubChem CID 69029511) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[6-methyl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[6-methyl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-oxazol-2-amine
PubChem CID69029511
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC NameN-[6-methyl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-oxazol-2-amine
SMILESCc1cc(Nc2ncco2)nc(N2CCC[C@H]2c2cc(-c3ccccn3)no2)n1
InChIInChI=1S/C20H19N7O2/c1-13-11-18(25-20-22-8-10-28-20)24-19(23-13)27-9-4-6-16(27)17-12-15(26-29-17)14-5-2-3-7-21-14/h2-3,5,7-8,10-12,16H,4,6,9H2,1H3,(H,22,23,24,25)/t16-/m0/s1
InChIKeyDILDDMHERZCAPQ-INIZCTEOSA-N
XLogP3.91
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-oxazol-2-amine?
The IUPAC name of N-[6-methyl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-oxazol-2-amine (CID 69029511) is N-[6-methyl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-oxazol-2-amine.
What is the SMILES notation for N-[6-methyl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-oxazol-2-amine?
The canonical SMILES for N-[6-methyl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-oxazol-2-amine is Cc1cc(Nc2ncco2)nc(N2CCC[C@H]2c2cc(-c3ccccn3)no2)n1.
What is the InChIKey of N-[6-methyl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-oxazol-2-amine?
The InChIKey is DILDDMHERZCAPQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-13-11-18(25-20-22-8-10-28-20)24-19(23-13)27-9-4-6-16(27)17-12-15(26-29-17)14-5-2-3-7-21-14/h2-3,5,7-8,10-12,16H,4,6,9H2,1H3,(H,22,23,24,25)/t16-/m0/s1.
What are the key properties of N-[6-methyl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-oxazol-2-amine?
N-[6-methyl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-oxazol-2-amine has a molecular weight of 389.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-oxazol-2-amine is sourced from PubChem (CID 69029511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).