3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]propanamide

C26H36N6O2 — CID 53188800

IUPAC3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
SMILESO=C(CCC1CCN(c2cc(NC3CC3)ncn2)CC1)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H36N6O2/c33-26(27-18-21-1-6-23(7-2-21)31-13-15-34-16-14-31)8-3-20-9-11-32(12-10-20)25-17-24(28-19-29-25)30-22-4-5-22/h1-2,6-7,17,19-20,22H,3-5,8-16,18H2,(H,27,33)(H,28,29,30)
InChIKeyJYGTZRLRJCJYLE-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.20
Rot. Bonds9

About 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]propanamide

3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]propanamide (PubChem CID 53188800) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
PubChem CID53188800
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
SMILESO=C(CCC1CCN(c2cc(NC3CC3)ncn2)CC1)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H36N6O2/c33-26(27-18-21-1-6-23(7-2-21)31-13-15-34-16-14-31)8-3-20-9-11-32(12-10-20)25-17-24(28-19-29-25)30-22-4-5-22/h1-2,6-7,17,19-20,22H,3-5,8-16,18H2,(H,27,33)(H,28,29,30)
InChIKeyJYGTZRLRJCJYLE-UHFFFAOYSA-N
XLogP3.20
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(3-fluorophenyl)methyl]propanamide
CID 53188636
N-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 53188633
3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 95103173
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060204
N-(1-benzylpiperidin-4-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 53188806
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]propanamide
CID 53188796
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 53174462
N-[(3,5-difluorophenyl)methyl]-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 53188745
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide
CID 53174507
N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112854724
[6-[(3R)-3-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]methanol
CID 177305968
N-[(4-chlorophenyl)methyl]-3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 95103026

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]propanamide (CID 53188800) is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]propanamide is O=C(CCC1CCN(c2cc(NC3CC3)ncn2)CC1)NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The InChIKey is JYGTZRLRJCJYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2/c33-26(27-18-21-1-6-23(7-2-21)31-13-15-34-16-14-31)8-3-20-9-11-32(12-10-20)25-17-24(28-19-29-25)30-22-4-5-22/h1-2,6-7,17,19-20,22H,3-5,8-16,18H2,(H,27,33)(H,28,29,30).
What are the key properties of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]propanamide has a molecular weight of 464.61 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]propanamide is sourced from PubChem (CID 53188800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).