N,6-dimethyl-2-[(3R)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine

C17H26N6O — CID 124962533

IUPACN,6-dimethyl-2-[(3R)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
SMILESCNc1cc(C)nc([C@@H]2COCCN2Cc2ccnn2C(C)C)n1
InChIInChI=1S/C17H26N6O/c1-12(2)23-14(5-6-19-23)10-22-7-8-24-11-15(22)17-20-13(3)9-16(18-4)21-17/h5-6,9,12,15H,7-8,10-11H2,1-4H3,(H,18,20,21)/t15-/m0/s1
InChIKeyHJPYMURMMHUKAJ-HNNXBMFYSA-N
MW330.44 g/mol
LogP2.18
Rot. Bonds5

About N,6-dimethyl-2-[(3R)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine

N,6-dimethyl-2-[(3R)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine (PubChem CID 124962533) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N,6-dimethyl-2-[(3R)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-[(3R)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
PubChem CID124962533
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN,6-dimethyl-2-[(3R)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
SMILESCNc1cc(C)nc([C@@H]2COCCN2Cc2ccnn2C(C)C)n1
InChIInChI=1S/C17H26N6O/c1-12(2)23-14(5-6-19-23)10-22-7-8-24-11-15(22)17-20-13(3)9-16(18-4)21-17/h5-6,9,12,15H,7-8,10-11H2,1-4H3,(H,18,20,21)/t15-/m0/s1
InChIKeyHJPYMURMMHUKAJ-HNNXBMFYSA-N
XLogP2.18
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[(3R)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-[(3R)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine (CID 124962533) is N,6-dimethyl-2-[(3R)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-[(3R)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-[(3R)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine is CNc1cc(C)nc([C@@H]2COCCN2Cc2ccnn2C(C)C)n1.
What is the InChIKey of N,6-dimethyl-2-[(3R)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The InChIKey is HJPYMURMMHUKAJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-12(2)23-14(5-6-19-23)10-22-7-8-24-11-15(22)17-20-13(3)9-16(18-4)21-17/h5-6,9,12,15H,7-8,10-11H2,1-4H3,(H,18,20,21)/t15-/m0/s1.
What are the key properties of N,6-dimethyl-2-[(3R)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
N,6-dimethyl-2-[(3R)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine has a molecular weight of 330.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[(3R)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 124962533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).