2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)(1,3-15N2)pyrimidine-2,4-di(15N2)amine

C17H21N7O2 — CID 68937421

IUPAC2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)(1,3-15N2)pyrimidine-2,4-di(15N2)amine
SMILESCC(C)Oc1cc([15NH]c2cc[15n]c([15NH]Cc3cc(C4CC4)no3)[15n]2)[nH]n1
InChIInChI=1S/C17H21N7O2/c1-10(2)25-16-8-15(22-23-16)20-14-5-6-18-17(21-14)19-9-12-7-13(24-26-12)11-3-4-11/h5-8,10-11H,3-4,9H2,1-2H3,(H3,18,19,20,21,22,23)/i18+1,19+1,20+1,21+1
InChIKeyDETIPTCQHXCRPU-KXSFFQGYSA-N
MW359.37 g/mol
LogP3.21
Rot. Bonds8

About 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)(1,3-15N2)pyrimidine-2,4-di(15N2)amine

2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)(1,3-15N2)pyrimidine-2,4-di(15N2)amine (PubChem CID 68937421) has the molecular formula C17H21N7O2 and a molecular weight of 359.37 g/mol. Its IUPAC name is 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)(1,3-15N2)pyrimidine-2,4-di(15N2)amine.

Molecular Properties

Compound Name2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)(1,3-15N2)pyrimidine-2,4-di(15N2)amine
PubChem CID68937421
Molecular FormulaC17H21N7O2
Molecular Weight359.37 g/mol
Exact Mass359.16
IUPAC Name2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)(1,3-15N2)pyrimidine-2,4-di(15N2)amine
SMILESCC(C)Oc1cc([15NH]c2cc[15n]c([15NH]Cc3cc(C4CC4)no3)[15n]2)[nH]n1
InChIInChI=1S/C17H21N7O2/c1-10(2)25-16-8-15(22-23-16)20-14-5-6-18-17(21-14)19-9-12-7-13(24-26-12)11-3-4-11/h5-8,10-11H,3-4,9H2,1-2H3,(H3,18,19,20,21,22,23)/i18+1,19+1,20+1,21+1
InChIKeyDETIPTCQHXCRPU-KXSFFQGYSA-N
XLogP3.21
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)(1,3-15N2)pyrimidine-2,4-di(15N2)amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)(1,3-15N2)pyrimidine-2,4-di(15N2)amine?
The IUPAC name of 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)(1,3-15N2)pyrimidine-2,4-di(15N2)amine (CID 68937421) is 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)(1,3-15N2)pyrimidine-2,4-di(15N2)amine.
What is the SMILES notation for 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)(1,3-15N2)pyrimidine-2,4-di(15N2)amine?
The canonical SMILES for 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)(1,3-15N2)pyrimidine-2,4-di(15N2)amine is CC(C)Oc1cc([15NH]c2cc[15n]c([15NH]Cc3cc(C4CC4)no3)[15n]2)[nH]n1.
What is the InChIKey of 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)(1,3-15N2)pyrimidine-2,4-di(15N2)amine?
The InChIKey is DETIPTCQHXCRPU-KXSFFQGYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-10(2)25-16-8-15(22-23-16)20-14-5-6-18-17(21-14)19-9-12-7-13(24-26-12)11-3-4-11/h5-8,10-11H,3-4,9H2,1-2H3,(H3,18,19,20,21,22,23)/i18+1,19+1,20+1,21+1.
What are the key properties of 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)(1,3-15N2)pyrimidine-2,4-di(15N2)amine?
2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)(1,3-15N2)pyrimidine-2,4-di(15N2)amine has a molecular weight of 359.37 g/mol, XLogP of 3.21, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)(1,3-15N2)pyrimidine-2,4-di(15N2)amine is sourced from PubChem (CID 68937421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).