4-cyclopentyl-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrimidin-2-amine

C17H28N4O — CID 95556667

IUPAC4-cyclopentyl-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrimidin-2-amine
SMILESC[C@@H](CN(C)c1nccc(C2CCCC2)n1)N1CCOCC1
InChIInChI=1S/C17H28N4O/c1-14(21-9-11-22-12-10-21)13-20(2)17-18-8-7-16(19-17)15-5-3-4-6-15/h7-8,14-15H,3-6,9-13H2,1-2H3/t14-/m0/s1
InChIKeyHIAKHTZMOPNRAJ-AWEZNQCLSA-N
MW304.44 g/mol
LogP2.29
Rot. Bonds5

About 4-cyclopentyl-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrimidin-2-amine

4-cyclopentyl-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrimidin-2-amine (PubChem CID 95556667) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-cyclopentyl-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrimidin-2-amine
PubChem CID95556667
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name4-cyclopentyl-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrimidin-2-amine
SMILESC[C@@H](CN(C)c1nccc(C2CCCC2)n1)N1CCOCC1
InChIInChI=1S/C17H28N4O/c1-14(21-9-11-22-12-10-21)13-20(2)17-18-8-7-16(19-17)15-5-3-4-6-15/h7-8,14-15H,3-6,9-13H2,1-2H3/t14-/m0/s1
InChIKeyHIAKHTZMOPNRAJ-AWEZNQCLSA-N
XLogP2.29
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrimidin-2-amine?
The IUPAC name of 4-cyclopentyl-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrimidin-2-amine (CID 95556667) is 4-cyclopentyl-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyl-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyl-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrimidin-2-amine is C[C@@H](CN(C)c1nccc(C2CCCC2)n1)N1CCOCC1.
What is the InChIKey of 4-cyclopentyl-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrimidin-2-amine?
The InChIKey is HIAKHTZMOPNRAJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14(21-9-11-22-12-10-21)13-20(2)17-18-8-7-16(19-17)15-5-3-4-6-15/h7-8,14-15H,3-6,9-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 4-cyclopentyl-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrimidin-2-amine?
4-cyclopentyl-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrimidin-2-amine has a molecular weight of 304.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrimidin-2-amine is sourced from PubChem (CID 95556667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).