N-cyclohexyl-1-pyrimidin-4-ylethane-1,2-diamine

C12H20N4 — CID 65384316

IUPACN-cyclohexyl-1-pyrimidin-4-ylethane-1,2-diamine
SMILESNCC(NC1CCCCC1)c1ccncn1
InChIInChI=1S/C12H20N4/c13-8-12(11-6-7-14-9-15-11)16-10-4-2-1-3-5-10/h6-7,9-10,12,16H,1-5,8,13H2
InChIKeyHFQFDGHFQGLOIU-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.40
Rot. Bonds4

About N-cyclohexyl-1-pyrimidin-4-ylethane-1,2-diamine

N-cyclohexyl-1-pyrimidin-4-ylethane-1,2-diamine (PubChem CID 65384316) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-cyclohexyl-1-pyrimidin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-1-pyrimidin-4-ylethane-1,2-diamine
PubChem CID65384316
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-cyclohexyl-1-pyrimidin-4-ylethane-1,2-diamine
SMILESNCC(NC1CCCCC1)c1ccncn1
InChIInChI=1S/C12H20N4/c13-8-12(11-6-7-14-9-15-11)16-10-4-2-1-3-5-10/h6-7,9-10,12,16H,1-5,8,13H2
InChIKeyHFQFDGHFQGLOIU-UHFFFAOYSA-N
XLogP1.40
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-pyrimidin-4-ylethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-1-pyrimidin-4-ylethane-1,2-diamine (CID 65384316) is N-cyclohexyl-1-pyrimidin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-1-pyrimidin-4-ylethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-1-pyrimidin-4-ylethane-1,2-diamine is NCC(NC1CCCCC1)c1ccncn1.
What is the InChIKey of N-cyclohexyl-1-pyrimidin-4-ylethane-1,2-diamine?
The InChIKey is HFQFDGHFQGLOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c13-8-12(11-6-7-14-9-15-11)16-10-4-2-1-3-5-10/h6-7,9-10,12,16H,1-5,8,13H2.
What are the key properties of N-cyclohexyl-1-pyrimidin-4-ylethane-1,2-diamine?
N-cyclohexyl-1-pyrimidin-4-ylethane-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-pyrimidin-4-ylethane-1,2-diamine is sourced from PubChem (CID 65384316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).