N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine

C14H20N6O — CID 164639660

IUPACN,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine
SMILESCN(C)c1nccc(N2CCO[C@@H](Cn3cccn3)C2)n1
InChIInChI=1S/C14H20N6O/c1-18(2)14-15-6-4-13(17-14)19-8-9-21-12(10-19)11-20-7-3-5-16-20/h3-7,12H,8-11H2,1-2H3/t12-/m1/s1
InChIKeyPUHRYKMPAKWYRZ-GFCCVEGCSA-N
MW288.36 g/mol
LogP0.64
Rot. Bonds4

About N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine

N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine (PubChem CID 164639660) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine
PubChem CID164639660
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC NameN,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine
SMILESCN(C)c1nccc(N2CCO[C@@H](Cn3cccn3)C2)n1
InChIInChI=1S/C14H20N6O/c1-18(2)14-15-6-4-13(17-14)19-8-9-21-12(10-19)11-20-7-3-5-16-20/h3-7,12H,8-11H2,1-2H3/t12-/m1/s1
InChIKeyPUHRYKMPAKWYRZ-GFCCVEGCSA-N
XLogP0.64
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine (CID 164639660) is N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine is CN(C)c1nccc(N2CCO[C@@H](Cn3cccn3)C2)n1.
What is the InChIKey of N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine?
The InChIKey is PUHRYKMPAKWYRZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N6O/c1-18(2)14-15-6-4-13(17-14)19-8-9-21-12(10-19)11-20-7-3-5-16-20/h3-7,12H,8-11H2,1-2H3/t12-/m1/s1.
What are the key properties of N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine?
N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine has a molecular weight of 288.36 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 164639660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).