4,5-dimethyl-N-[1-(1,3-oxazol-2-yl)ethyl]-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide

C17H21N7O2 — CID 164553026

IUPAC4,5-dimethyl-N-[1-(1,3-oxazol-2-yl)ethyl]-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide
SMILESCc1nc(C(=O)NC(C)c2ncco2)nc(NCCc2cn[nH]c2)c1C
InChIInChI=1S/C17H21N7O2/c1-10-11(2)22-15(16(25)23-12(3)17-19-6-7-26-17)24-14(10)18-5-4-13-8-20-21-9-13/h6-9,12H,4-5H2,1-3H3,(H,20,21)(H,23,25)(H,18,22,24)
InChIKeyPGQWDZGLJMEJLI-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.95
Rot. Bonds7

About 4,5-dimethyl-N-[1-(1,3-oxazol-2-yl)ethyl]-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide

4,5-dimethyl-N-[1-(1,3-oxazol-2-yl)ethyl]-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide (PubChem CID 164553026) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4,5-dimethyl-N-[1-(1,3-oxazol-2-yl)ethyl]-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[1-(1,3-oxazol-2-yl)ethyl]-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide
PubChem CID164553026
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name4,5-dimethyl-N-[1-(1,3-oxazol-2-yl)ethyl]-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide
SMILESCc1nc(C(=O)NC(C)c2ncco2)nc(NCCc2cn[nH]c2)c1C
InChIInChI=1S/C17H21N7O2/c1-10-11(2)22-15(16(25)23-12(3)17-19-6-7-26-17)24-14(10)18-5-4-13-8-20-21-9-13/h6-9,12H,4-5H2,1-3H3,(H,20,21)(H,23,25)(H,18,22,24)
InChIKeyPGQWDZGLJMEJLI-UHFFFAOYSA-N
XLogP1.95
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[1-(1,3-oxazol-2-yl)ethyl]-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[1-(1,3-oxazol-2-yl)ethyl]-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide (CID 164553026) is 4,5-dimethyl-N-[1-(1,3-oxazol-2-yl)ethyl]-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[1-(1,3-oxazol-2-yl)ethyl]-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[1-(1,3-oxazol-2-yl)ethyl]-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide is Cc1nc(C(=O)NC(C)c2ncco2)nc(NCCc2cn[nH]c2)c1C.
What is the InChIKey of 4,5-dimethyl-N-[1-(1,3-oxazol-2-yl)ethyl]-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide?
The InChIKey is PGQWDZGLJMEJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-10-11(2)22-15(16(25)23-12(3)17-19-6-7-26-17)24-14(10)18-5-4-13-8-20-21-9-13/h6-9,12H,4-5H2,1-3H3,(H,20,21)(H,23,25)(H,18,22,24).
What are the key properties of 4,5-dimethyl-N-[1-(1,3-oxazol-2-yl)ethyl]-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide?
4,5-dimethyl-N-[1-(1,3-oxazol-2-yl)ethyl]-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[1-(1,3-oxazol-2-yl)ethyl]-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide is sourced from PubChem (CID 164553026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).