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

C21H30N8O2 — CID 71137889

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-3-yloxypyrimidine-2,4-diamine
SMILESCC(C)C1C=C(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(OC3CCNC3)n2)ON1
InChIInChI=1S/C21H30N8O2/c1-12(2)16-7-15(31-29-16)11-23-21-25-18(9-20(26-21)30-14-5-6-22-10-14)24-19-8-17(27-28-19)13-3-4-13/h7-9,12-14,16,22,29H,3-6,10-11H2,1-2H3,(H3,23,24,25,26,27,28)
InChIKeyBFKRLTVZFYCHKK-UHFFFAOYSA-N
MW426.53 g/mol
LogP2.42
Rot. Bonds9

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

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-3-yloxypyrimidine-2,4-diamine (PubChem CID 71137889) has the molecular formula C21H30N8O2 and a molecular weight of 426.53 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-3-yloxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-3-yloxypyrimidine-2,4-diamine
PubChem CID71137889
Molecular FormulaC21H30N8O2
Molecular Weight426.53 g/mol
Exact Mass426.25
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-3-yloxypyrimidine-2,4-diamine
SMILESCC(C)C1C=C(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(OC3CCNC3)n2)ON1
InChIInChI=1S/C21H30N8O2/c1-12(2)16-7-15(31-29-16)11-23-21-25-18(9-20(26-21)30-14-5-6-22-10-14)24-19-8-17(27-28-19)13-3-4-13/h7-9,12-14,16,22,29H,3-6,10-11H2,1-2H3,(H3,23,24,25,26,27,28)
InChIKeyBFKRLTVZFYCHKK-UHFFFAOYSA-N
XLogP2.42
TPSA121.04 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 52.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-3-yloxypyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-3-yloxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-3-yloxypyrimidine-2,4-diamine (CID 71137889) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-3-yloxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-3-yloxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-3-yloxypyrimidine-2,4-diamine is CC(C)C1C=C(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(OC3CCNC3)n2)ON1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-3-yloxypyrimidine-2,4-diamine?
The InChIKey is BFKRLTVZFYCHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N8O2/c1-12(2)16-7-15(31-29-16)11-23-21-25-18(9-20(26-21)30-14-5-6-22-10-14)24-19-8-17(27-28-19)13-3-4-13/h7-9,12-14,16,22,29H,3-6,10-11H2,1-2H3,(H3,23,24,25,26,27,28).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-3-yloxypyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-3-yloxypyrimidine-2,4-diamine has a molecular weight of 426.53 g/mol, XLogP of 2.42, 9 rotatable bonds, 5 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)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-3-yloxypyrimidine-2,4-diamine is sourced from PubChem (CID 71137889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).