4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

C22H32N8O2 — CID 59648404

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCCc1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(OCCN(CC)CC)n2)on1
InChIInChI=1S/C22H32N8O2/c1-4-16-11-17(32-29-16)14-23-22-25-19(24-20-12-18(27-28-20)15-7-8-15)13-21(26-22)31-10-9-30(5-2)6-3/h11-13,15H,4-10,14H2,1-3H3,(H3,23,24,25,26,27,28)
InChIKeyUBEDIZCVZASFTE-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.70
Rot. Bonds13

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 59648404) has the molecular formula C22H32N8O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID59648404
Molecular FormulaC22H32N8O2
Molecular Weight440.55 g/mol
Exact Mass440.26
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCCc1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(OCCN(CC)CC)n2)on1
InChIInChI=1S/C22H32N8O2/c1-4-16-11-17(32-29-16)14-23-22-25-19(24-20-12-18(27-28-20)15-7-8-15)13-21(26-22)31-10-9-30(5-2)6-3/h11-13,15H,4-10,14H2,1-3H3,(H3,23,24,25,26,27,28)
InChIKeyUBEDIZCVZASFTE-UHFFFAOYSA-N
XLogP3.70
TPSA117.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 59648404) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is CCc1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(OCCN(CC)CC)n2)on1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is UBEDIZCVZASFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N8O2/c1-4-16-11-17(32-29-16)14-23-22-25-19(24-20-12-18(27-28-20)15-7-8-15)13-21(26-22)31-10-9-30(5-2)6-3/h11-13,15H,4-10,14H2,1-3H3,(H3,23,24,25,26,27,28).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 440.55 g/mol, XLogP of 3.70, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59648404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).