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

C21H32N8O2 — CID 59648403

IUPAC6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCC(C)c1cc(CNc2nc(Nc3cc(C(C)C)[nH]n3)cc(OCCN(C)C)n2)on1
InChIInChI=1S/C21H32N8O2/c1-13(2)16-10-19(27-26-16)23-18-11-20(30-8-7-29(5)6)25-21(24-18)22-12-15-9-17(14(3)4)28-31-15/h9-11,13-14H,7-8,12H2,1-6H3,(H3,22,23,24,25,26,27)
InChIKeyOJZDPBNYFYWVOT-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.73
Rot. Bonds11

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

6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 59648403) has the molecular formula C21H32N8O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID59648403
Molecular FormulaC21H32N8O2
Molecular Weight428.54 g/mol
Exact Mass428.26
IUPAC Name6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCC(C)c1cc(CNc2nc(Nc3cc(C(C)C)[nH]n3)cc(OCCN(C)C)n2)on1
InChIInChI=1S/C21H32N8O2/c1-13(2)16-10-19(27-26-16)23-18-11-20(30-8-7-29(5)6)25-21(24-18)22-12-15-9-17(14(3)4)28-31-15/h9-11,13-14H,7-8,12H2,1-6H3,(H3,22,23,24,25,26,27)
InChIKeyOJZDPBNYFYWVOT-UHFFFAOYSA-N
XLogP3.73
TPSA117.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 59648403) is 6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is CC(C)c1cc(CNc2nc(Nc3cc(C(C)C)[nH]n3)cc(OCCN(C)C)n2)on1.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is OJZDPBNYFYWVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N8O2/c1-13(2)16-10-19(27-26-16)23-18-11-20(30-8-7-29(5)6)25-21(24-18)22-12-15-9-17(14(3)4)28-31-15/h9-11,13-14H,7-8,12H2,1-6H3,(H3,22,23,24,25,26,27).
What are the key properties of 6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 428.54 g/mol, XLogP of 3.73, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 59648403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).