2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

C16H24Cl2N4O — CID 88906606

IUPAC2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESClc1nc(Cl)c(C2CCCC2)c(NCCCN2CCOCC2)n1
InChIInChI=1S/C16H24Cl2N4O/c17-14-13(12-4-1-2-5-12)15(21-16(18)20-14)19-6-3-7-22-8-10-23-11-9-22/h12H,1-11H2,(H,19,20,21)
InChIKeyGFUOHHTVKXBZKQ-UHFFFAOYSA-N
MW359.30 g/mol
LogP3.58
Rot. Bonds6

About 2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (PubChem CID 88906606) has the molecular formula C16H24Cl2N4O and a molecular weight of 359.30 g/mol. Its IUPAC name is 2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
PubChem CID88906606
Molecular FormulaC16H24Cl2N4O
Molecular Weight359.30 g/mol
Exact Mass358.13
IUPAC Name2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESClc1nc(Cl)c(C2CCCC2)c(NCCCN2CCOCC2)n1
InChIInChI=1S/C16H24Cl2N4O/c17-14-13(12-4-1-2-5-12)15(21-16(18)20-14)19-6-3-7-22-8-10-23-11-9-22/h12H,1-11H2,(H,19,20,21)
InChIKeyGFUOHHTVKXBZKQ-UHFFFAOYSA-N
XLogP3.58
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.58
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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Related Compounds

3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine
CID 81035323
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine
CID 55169476
2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
CID 36662494
6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79557316
2,6-dichloro-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine
CID 118892550
3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine
CID 102755807
4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine
CID 62141191
6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586
2-chloro-5-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 165402278
6-chloro-2-N-cyclohexyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 779526

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (CID 88906606) is 2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is Clc1nc(Cl)c(C2CCCC2)c(NCCCN2CCOCC2)n1.
What is the InChIKey of 2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The InChIKey is GFUOHHTVKXBZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N4O/c17-14-13(12-4-1-2-5-12)15(21-16(18)20-14)19-6-3-7-22-8-10-23-11-9-22/h12H,1-11H2,(H,19,20,21).
What are the key properties of 2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine has a molecular weight of 359.30 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 88906606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).