2-N-[cyclopropyl(1,3-oxazol-5-yl)methyl]-4-N-[5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine

C20H21N7O2 — CID 69091265

IUPAC2-N-[cyclopropyl(1,3-oxazol-5-yl)methyl]-4-N-[5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
SMILESc1coc(CCc2cc(Nc3ccnc(NC(c4cnco4)C4CC4)n3)n[nH]2)c1
InChIInChI=1S/C20H21N7O2/c1-2-15(28-9-1)6-5-14-10-18(27-26-14)23-17-7-8-22-20(24-17)25-19(13-3-4-13)16-11-21-12-29-16/h1-2,7-13,19H,3-6H2,(H3,22,23,24,25,26,27)
InChIKeyIGKBOFABOGLNDL-UHFFFAOYSA-N
MW391.44 g/mol
LogP3.87
Rot. Bonds9

About 2-N-[cyclopropyl(1,3-oxazol-5-yl)methyl]-4-N-[5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine

2-N-[cyclopropyl(1,3-oxazol-5-yl)methyl]-4-N-[5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine (PubChem CID 69091265) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-N-[cyclopropyl(1,3-oxazol-5-yl)methyl]-4-N-[5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[cyclopropyl(1,3-oxazol-5-yl)methyl]-4-N-[5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
PubChem CID69091265
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name2-N-[cyclopropyl(1,3-oxazol-5-yl)methyl]-4-N-[5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
SMILESc1coc(CCc2cc(Nc3ccnc(NC(c4cnco4)C4CC4)n3)n[nH]2)c1
InChIInChI=1S/C20H21N7O2/c1-2-15(28-9-1)6-5-14-10-18(27-26-14)23-17-7-8-22-20(24-17)25-19(13-3-4-13)16-11-21-12-29-16/h1-2,7-13,19H,3-6H2,(H3,22,23,24,25,26,27)
InChIKeyIGKBOFABOGLNDL-UHFFFAOYSA-N
XLogP3.87
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-[cyclopropyl(1,3-oxazol-5-yl)methyl]-4-N-[5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[cyclopropyl(1,3-oxazol-5-yl)methyl]-4-N-[5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine (CID 69091265) is 2-N-[cyclopropyl(1,3-oxazol-5-yl)methyl]-4-N-[5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[cyclopropyl(1,3-oxazol-5-yl)methyl]-4-N-[5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[cyclopropyl(1,3-oxazol-5-yl)methyl]-4-N-[5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine is c1coc(CCc2cc(Nc3ccnc(NC(c4cnco4)C4CC4)n3)n[nH]2)c1.
What is the InChIKey of 2-N-[cyclopropyl(1,3-oxazol-5-yl)methyl]-4-N-[5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine?
The InChIKey is IGKBOFABOGLNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-2-15(28-9-1)6-5-14-10-18(27-26-14)23-17-7-8-22-20(24-17)25-19(13-3-4-13)16-11-21-12-29-16/h1-2,7-13,19H,3-6H2,(H3,22,23,24,25,26,27).
What are the key properties of 2-N-[cyclopropyl(1,3-oxazol-5-yl)methyl]-4-N-[5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine?
2-N-[cyclopropyl(1,3-oxazol-5-yl)methyl]-4-N-[5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine has a molecular weight of 391.44 g/mol, XLogP of 3.87, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[cyclopropyl(1,3-oxazol-5-yl)methyl]-4-N-[5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 69091265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).