2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine

C16H26N4O — CID 104961859

IUPAC2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2C[C@@H](C)O[C@@H](C)C2)nc(C2CC2)n1
InChIInChI=1S/C16H26N4O/c1-4-7-17-14-8-15(19-16(18-14)13-5-6-13)20-9-11(2)21-12(3)10-20/h8,11-13H,4-7,9-10H2,1-3H3,(H,17,18,19)/t11-,12+
InChIKeyIALUBYWEWKGTPS-TXEJJXNPSA-N
MW290.41 g/mol
LogP2.79
Rot. Bonds5

About 2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine

2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine (PubChem CID 104961859) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine
PubChem CID104961859
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2C[C@@H](C)O[C@@H](C)C2)nc(C2CC2)n1
InChIInChI=1S/C16H26N4O/c1-4-7-17-14-8-15(19-16(18-14)13-5-6-13)20-9-11(2)21-12(3)10-20/h8,11-13H,4-7,9-10H2,1-3H3,(H,17,18,19)/t11-,12+
InChIKeyIALUBYWEWKGTPS-TXEJJXNPSA-N
XLogP2.79
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 104961797
2-cyclopropyl-6-morpholin-4-yl-N-propylpyrimidin-4-amine
CID 80955847
2-cyclopropyl-6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine
CID 80958989
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80764701
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrazin-2-amine
CID 80764263
(2S,6R)-4-(6-bromo-2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 104959782
6-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine
CID 80943776
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 104961825
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677
2-cyclopropyl-4-N-(3-propoxypropyl)-6-N-propylpyrimidine-4,6-diamine
CID 82941617

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine (CID 104961859) is 2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine is CCCNc1cc(N2C[C@@H](C)O[C@@H](C)C2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine?
The InChIKey is IALUBYWEWKGTPS-TXEJJXNPSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-7-17-14-8-15(19-16(18-14)13-5-6-13)20-9-11(2)21-12(3)10-20/h8,11-13H,4-7,9-10H2,1-3H3,(H,17,18,19)/t11-,12+.
What are the key properties of 2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine?
2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 104961859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).