5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine

C14H23ClN4O — CID 80806982

IUPAC5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine
SMILESCCCOC1CCCN(c2nc(NCC)ncc2Cl)C1
InChIInChI=1S/C14H23ClN4O/c1-3-8-20-11-6-5-7-19(10-11)13-12(15)9-17-14(18-13)16-4-2/h9,11H,3-8,10H2,1-2H3,(H,16,17,18)
InChIKeyMSVUBUJMWBWSOX-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.96
Rot. Bonds6

About 5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine

5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine (PubChem CID 80806982) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine
PubChem CID80806982
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine
SMILESCCCOC1CCCN(c2nc(NCC)ncc2Cl)C1
InChIInChI=1S/C14H23ClN4O/c1-3-8-20-11-6-5-7-19(10-11)13-12(15)9-17-14(18-13)16-4-2/h9,11H,3-8,10H2,1-2H3,(H,16,17,18)
InChIKeyMSVUBUJMWBWSOX-UHFFFAOYSA-N
XLogP2.96
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80806454
5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine
CID 133344752
4-(3-ethoxypiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80806455
N-ethyl-2,5-dimethyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80784750
5-chloro-N-ethyl-4-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 80766486
4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine
CID 63022907
5-chloro-4-(2,6-dimethylmorpholin-4-yl)-N-ethylpyrimidin-2-amine
CID 80764781
5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide
CID 95099262
5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797839
4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole
CID 83156216
5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80836911
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764211

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine (CID 80806982) is 5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine is CCCOC1CCCN(c2nc(NCC)ncc2Cl)C1.
What is the InChIKey of 5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is MSVUBUJMWBWSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-3-8-20-11-6-5-7-19(10-11)13-12(15)9-17-14(18-13)16-4-2/h9,11H,3-8,10H2,1-2H3,(H,16,17,18).
What are the key properties of 5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine?
5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 298.82 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80806982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).