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

C23H32N8O2 — CID 67162932

IUPAC5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine
SMILESCC(C)c1cc(CNc2nc(N)c(-c3cc(C4CC4)[nH]n3)c(OCCN3CCCC3)n2)on1
InChIInChI=1S/C23H32N8O2/c1-14(2)17-11-16(33-30-17)13-25-23-26-21(24)20(19-12-18(28-29-19)15-5-6-15)22(27-23)32-10-9-31-7-3-4-8-31/h11-12,14-15H,3-10,13H2,1-2H3,(H,28,29)(H3,24,25,26,27)
InChIKeyZRSFGNQWBQPUOJ-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.52
Rot. Bonds10

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

5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine (PubChem CID 67162932) has the molecular formula C23H32N8O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine
PubChem CID67162932
Molecular FormulaC23H32N8O2
Molecular Weight452.56 g/mol
Exact Mass452.26
IUPAC Name5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine
SMILESCC(C)c1cc(CNc2nc(N)c(-c3cc(C4CC4)[nH]n3)c(OCCN3CCCC3)n2)on1
InChIInChI=1S/C23H32N8O2/c1-14(2)17-11-16(33-30-17)13-25-23-26-21(24)20(19-12-18(28-29-19)15-5-6-15)22(27-23)32-10-9-31-7-3-4-8-31/h11-12,14-15H,3-10,13H2,1-2H3,(H,28,29)(H3,24,25,26,27)
InChIKeyZRSFGNQWBQPUOJ-UHFFFAOYSA-N
XLogP3.52
TPSA131.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine?
The IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine (CID 67162932) is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine is CC(C)c1cc(CNc2nc(N)c(-c3cc(C4CC4)[nH]n3)c(OCCN3CCCC3)n2)on1.
What is the InChIKey of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine?
The InChIKey is ZRSFGNQWBQPUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8O2/c1-14(2)17-11-16(33-30-17)13-25-23-26-21(24)20(19-12-18(28-29-19)15-5-6-15)22(27-23)32-10-9-31-7-3-4-8-31/h11-12,14-15H,3-10,13H2,1-2H3,(H,28,29)(H3,24,25,26,27).
What are the key properties of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine?
5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine has a molecular weight of 452.56 g/mol, XLogP of 3.52, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 67162932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).