N,N,6-trimethyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-4-amine

C15H22N6O — CID 95286452

IUPACN,N,6-trimethyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(N2CCO[C@@H](Cn3cccn3)C2)n1
InChIInChI=1S/C15H22N6O/c1-12-9-14(19(2)3)18-15(17-12)20-7-8-22-13(10-20)11-21-6-4-5-16-21/h4-6,9,13H,7-8,10-11H2,1-3H3/t13-/m1/s1
InChIKeyXNSWXKYWTJNZED-CYBMUJFWSA-N
MW302.38 g/mol
LogP0.95
Rot. Bonds4

About N,N,6-trimethyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-4-amine

N,N,6-trimethyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-4-amine (PubChem CID 95286452) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N,N,6-trimethyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,6-trimethyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-4-amine
PubChem CID95286452
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN,N,6-trimethyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(N2CCO[C@@H](Cn3cccn3)C2)n1
InChIInChI=1S/C15H22N6O/c1-12-9-14(19(2)3)18-15(17-12)20-7-8-22-13(10-20)11-21-6-4-5-16-21/h4-6,9,13H,7-8,10-11H2,1-3H3/t13-/m1/s1
InChIKeyXNSWXKYWTJNZED-CYBMUJFWSA-N
XLogP0.95
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-4-amine?
The IUPAC name of N,N,6-trimethyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-4-amine (CID 95286452) is N,N,6-trimethyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N,6-trimethyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N,N,6-trimethyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-4-amine is Cc1cc(N(C)C)nc(N2CCO[C@@H](Cn3cccn3)C2)n1.
What is the InChIKey of N,N,6-trimethyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-4-amine?
The InChIKey is XNSWXKYWTJNZED-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N6O/c1-12-9-14(19(2)3)18-15(17-12)20-7-8-22-13(10-20)11-21-6-4-5-16-21/h4-6,9,13H,7-8,10-11H2,1-3H3/t13-/m1/s1.
What are the key properties of N,N,6-trimethyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-4-amine?
N,N,6-trimethyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-4-amine has a molecular weight of 302.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 95286452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).