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

C25H29N9O2 — CID 11156013

IUPACN-(5-methyl-1H-pyrazol-3-yl)-6-(morpholin-4-ylmethyl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(CN3CCOCC3)nc(N3CCCC3c3cc(-c4ccccn4)no3)n2)n[nH]1
InChIInChI=1S/C25H29N9O2/c1-17-13-24(31-30-17)28-23-14-18(16-33-9-11-35-12-10-33)27-25(29-23)34-8-4-6-21(34)22-15-20(32-36-22)19-5-2-3-7-26-19/h2-3,5,7,13-15,21H,4,6,8-12,16H2,1H3,(H2,27,28,29,30,31)
InChIKeyPJWKTSLXYCPHRZ-UHFFFAOYSA-N
MW487.57 g/mol
LogP3.48
Rot. Bonds7

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

N-(5-methyl-1H-pyrazol-3-yl)-6-(morpholin-4-ylmethyl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 11156013) has the molecular formula C25H29N9O2 and a molecular weight of 487.57 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-6-(morpholin-4-ylmethyl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-6-(morpholin-4-ylmethyl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID11156013
Molecular FormulaC25H29N9O2
Molecular Weight487.57 g/mol
Exact Mass487.24
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-6-(morpholin-4-ylmethyl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(CN3CCOCC3)nc(N3CCCC3c3cc(-c4ccccn4)no3)n2)n[nH]1
InChIInChI=1S/C25H29N9O2/c1-17-13-24(31-30-17)28-23-14-18(16-33-9-11-35-12-10-33)27-25(29-23)34-8-4-6-21(34)22-15-20(32-36-22)19-5-2-3-7-26-19/h2-3,5,7,13-15,21H,4,6,8-12,16H2,1H3,(H2,27,28,29,30,31)
InChIKeyPJWKTSLXYCPHRZ-UHFFFAOYSA-N
XLogP3.48
TPSA121.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-6-(morpholin-4-ylmethyl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-6-(morpholin-4-ylmethyl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine (CID 11156013) is N-(5-methyl-1H-pyrazol-3-yl)-6-(morpholin-4-ylmethyl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-6-(morpholin-4-ylmethyl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-6-(morpholin-4-ylmethyl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine is Cc1cc(Nc2cc(CN3CCOCC3)nc(N3CCCC3c3cc(-c4ccccn4)no3)n2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-6-(morpholin-4-ylmethyl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is PJWKTSLXYCPHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O2/c1-17-13-24(31-30-17)28-23-14-18(16-33-9-11-35-12-10-33)27-25(29-23)34-8-4-6-21(34)22-15-20(32-36-22)19-5-2-3-7-26-19/h2-3,5,7,13-15,21H,4,6,8-12,16H2,1H3,(H2,27,28,29,30,31).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-6-(morpholin-4-ylmethyl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
N-(5-methyl-1H-pyrazol-3-yl)-6-(morpholin-4-ylmethyl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 487.57 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-6-(morpholin-4-ylmethyl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 11156013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).