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

C20H30N8O2 — CID 71133049

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-ethyl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCCC1C=C(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(OCCN(C)C)n2)ON1
InChIInChI=1S/C20H30N8O2/c1-4-14-9-15(30-27-14)12-21-20-23-17(11-19(24-20)29-8-7-28(2)3)22-18-10-16(25-26-18)13-5-6-13/h9-11,13-14,27H,4-8,12H2,1-3H3,(H3,21,22,23,24,25,26)
InChIKeyONJJYZDWKZCPQE-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.37
Rot. Bonds11

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

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-ethyl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 71133049) has the molecular formula C20H30N8O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-ethyl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-ethyl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID71133049
Molecular FormulaC20H30N8O2
Molecular Weight414.51 g/mol
Exact Mass414.25
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-ethyl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCCC1C=C(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(OCCN(C)C)n2)ON1
InChIInChI=1S/C20H30N8O2/c1-4-14-9-15(30-27-14)12-21-20-23-17(11-19(24-20)29-8-7-28(2)3)22-18-10-16(25-26-18)13-5-6-13/h9-11,13-14,27H,4-8,12H2,1-3H3,(H3,21,22,23,24,25,26)
InChIKeyONJJYZDWKZCPQE-UHFFFAOYSA-N
XLogP2.37
TPSA112.25 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.37
H-Bond Donors ≤ 54
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-(dimethylamino)ethoxy]-2-N-[(3-ethyl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-ethyl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 71133049) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-ethyl-2,3-dihydro-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-(dimethylamino)ethoxy]-2-N-[(3-ethyl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-ethyl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is CCC1C=C(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(OCCN(C)C)n2)ON1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-ethyl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is ONJJYZDWKZCPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N8O2/c1-4-14-9-15(30-27-14)12-21-20-23-17(11-19(24-20)29-8-7-28(2)3)22-18-10-16(25-26-18)13-5-6-13/h9-11,13-14,27H,4-8,12H2,1-3H3,(H3,21,22,23,24,25,26).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-ethyl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-ethyl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 414.51 g/mol, XLogP of 2.37, 11 rotatable bonds, 4 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-(dimethylamino)ethoxy]-2-N-[(3-ethyl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 71133049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).