N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]pyrimidin-4-amine

C13H22N4O — CID 72884079

IUPACN-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]pyrimidin-4-amine
SMILESC[C@@H]1CN(CCCNc2ccncn2)C[C@H](C)O1
InChIInChI=1S/C13H22N4O/c1-11-8-17(9-12(2)18-11)7-3-5-15-13-4-6-14-10-16-13/h4,6,10-12H,3,5,7-9H2,1-2H3,(H,14,15,16)/t11-,12+
InChIKeyZSULTZWFURWMBX-TXEJJXNPSA-N
MW250.35 g/mol
LogP1.39
Rot. Bonds5

About N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]pyrimidin-4-amine

N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]pyrimidin-4-amine (PubChem CID 72884079) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]pyrimidin-4-amine
PubChem CID72884079
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]pyrimidin-4-amine
SMILESC[C@@H]1CN(CCCNc2ccncn2)C[C@H](C)O1
InChIInChI=1S/C13H22N4O/c1-11-8-17(9-12(2)18-11)7-3-5-15-13-4-6-14-10-16-13/h4,6,10-12H,3,5,7-9H2,1-2H3,(H,14,15,16)/t11-,12+
InChIKeyZSULTZWFURWMBX-TXEJJXNPSA-N
XLogP1.39
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]pyrimidin-4-amine?
The IUPAC name of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]pyrimidin-4-amine (CID 72884079) is N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]pyrimidin-4-amine.
What is the SMILES notation for N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]pyrimidin-4-amine?
The canonical SMILES for N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]pyrimidin-4-amine is C[C@@H]1CN(CCCNc2ccncn2)C[C@H](C)O1.
What is the InChIKey of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]pyrimidin-4-amine?
The InChIKey is ZSULTZWFURWMBX-TXEJJXNPSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11-8-17(9-12(2)18-11)7-3-5-15-13-4-6-14-10-16-13/h4,6,10-12H,3,5,7-9H2,1-2H3,(H,14,15,16)/t11-,12+.
What are the key properties of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]pyrimidin-4-amine?
N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]pyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]pyrimidin-4-amine is sourced from PubChem (CID 72884079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).