N-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine

C14H20Cl2N4 — CID 126665328

IUPACN-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine
SMILESClc1ncc(Cl)c(NC2CCC3(CCNCC3)CC2)n1
InChIInChI=1S/C14H20Cl2N4/c15-11-9-18-13(16)20-12(11)19-10-1-3-14(4-2-10)5-7-17-8-6-14/h9-10,17H,1-8H2,(H,18,19,20)
InChIKeyYFIBTZPGEKLUCX-UHFFFAOYSA-N
MW315.25 g/mol
LogP3.51
Rot. Bonds2

About N-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine

N-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine (PubChem CID 126665328) has the molecular formula C14H20Cl2N4 and a molecular weight of 315.25 g/mol. Its IUPAC name is N-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound NameN-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine
PubChem CID126665328
Molecular FormulaC14H20Cl2N4
Molecular Weight315.25 g/mol
Exact Mass314.11
IUPAC NameN-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine
SMILESClc1ncc(Cl)c(NC2CCC3(CCNCC3)CC2)n1
InChIInChI=1S/C14H20Cl2N4/c15-11-9-18-13(16)20-12(11)19-10-1-3-14(4-2-10)5-7-17-8-6-14/h9-10,17H,1-8H2,(H,18,19,20)
InChIKeyYFIBTZPGEKLUCX-UHFFFAOYSA-N
XLogP3.51
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of N-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine (CID 126665328) is N-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for N-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for N-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine is Clc1ncc(Cl)c(NC2CCC3(CCNCC3)CC2)n1.
What is the InChIKey of N-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is YFIBTZPGEKLUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N4/c15-11-9-18-13(16)20-12(11)19-10-1-3-14(4-2-10)5-7-17-8-6-14/h9-10,17H,1-8H2,(H,18,19,20).
What are the key properties of N-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine?
N-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 315.25 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 126665328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).