4-pyrazol-1-yl-6-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-amine

C14H16N8O — CID 166354821

IUPAC4-pyrazol-1-yl-6-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-amine
SMILESNc1nc(N2CCOC(c3cn[nH]c3)C2)cc(-n2cccn2)n1
InChIInChI=1S/C14H16N8O/c15-14-19-12(6-13(20-14)22-3-1-2-18-22)21-4-5-23-11(9-21)10-7-16-17-8-10/h1-3,6-8,11H,4-5,9H2,(H,16,17)(H2,15,19,20)
InChIKeyBNWMZYJJHHWKBV-UHFFFAOYSA-N
MW312.34 g/mol
LogP0.55
Rot. Bonds3

About 4-pyrazol-1-yl-6-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-amine

4-pyrazol-1-yl-6-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-amine (PubChem CID 166354821) has the molecular formula C14H16N8O and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-pyrazol-1-yl-6-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-pyrazol-1-yl-6-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-amine
PubChem CID166354821
Molecular FormulaC14H16N8O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC Name4-pyrazol-1-yl-6-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-amine
SMILESNc1nc(N2CCOC(c3cn[nH]c3)C2)cc(-n2cccn2)n1
InChIInChI=1S/C14H16N8O/c15-14-19-12(6-13(20-14)22-3-1-2-18-22)21-4-5-23-11(9-21)10-7-16-17-8-10/h1-3,6-8,11H,4-5,9H2,(H,16,17)(H2,15,19,20)
InChIKeyBNWMZYJJHHWKBV-UHFFFAOYSA-N
XLogP0.55
TPSA110.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-6-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-pyrazol-1-yl-6-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-amine (CID 166354821) is 4-pyrazol-1-yl-6-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-pyrazol-1-yl-6-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-pyrazol-1-yl-6-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-amine is Nc1nc(N2CCOC(c3cn[nH]c3)C2)cc(-n2cccn2)n1.
What is the InChIKey of 4-pyrazol-1-yl-6-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-amine?
The InChIKey is BNWMZYJJHHWKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8O/c15-14-19-12(6-13(20-14)22-3-1-2-18-22)21-4-5-23-11(9-21)10-7-16-17-8-10/h1-3,6-8,11H,4-5,9H2,(H,16,17)(H2,15,19,20).
What are the key properties of 4-pyrazol-1-yl-6-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-amine?
4-pyrazol-1-yl-6-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-amine has a molecular weight of 312.34 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-6-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 166354821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).