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

C11H16Cl2N4O — CID 79633494

IUPAC2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESClc1ncc(Cl)c(NCCCN2CCOCC2)n1
InChIInChI=1S/C11H16Cl2N4O/c12-9-8-15-11(13)16-10(9)14-2-1-3-17-4-6-18-7-5-17/h8H,1-7H2,(H,14,15,16)
InChIKeyYHXZJOINTKRTFA-UHFFFAOYSA-N
MW291.18 g/mol
LogP1.92
Rot. Bonds5

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

2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (PubChem CID 79633494) has the molecular formula C11H16Cl2N4O and a molecular weight of 291.18 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
PubChem CID79633494
Molecular FormulaC11H16Cl2N4O
Molecular Weight291.18 g/mol
Exact Mass290.07
IUPAC Name2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESClc1ncc(Cl)c(NCCCN2CCOCC2)n1
InChIInChI=1S/C11H16Cl2N4O/c12-9-8-15-11(13)16-10(9)14-2-1-3-17-4-6-18-7-5-17/h8H,1-7H2,(H,14,15,16)
InChIKeyYHXZJOINTKRTFA-UHFFFAOYSA-N
XLogP1.92
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 51.92
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
3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine
CID 102755807
2,5-dichloro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106326689
5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80777687
2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyrimidin-4-amine
CID 79633115
5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 80771545
2-chloro-5-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 165402278
6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586
2-chloro-N-(3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 165402287
2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 88906606
3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (CID 79633494) is 2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is Clc1ncc(Cl)c(NCCCN2CCOCC2)n1.
What is the InChIKey of 2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The InChIKey is YHXZJOINTKRTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N4O/c12-9-8-15-11(13)16-10(9)14-2-1-3-17-4-6-18-7-5-17/h8H,1-7H2,(H,14,15,16).
What are the key properties of 2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine has a molecular weight of 291.18 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 79633494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).