N'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine

C11H20N4 — CID 63759066

IUPACN'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine
SMILESCCC(CC)N(CCN)c1ccncn1
InChIInChI=1S/C11H20N4/c1-3-10(4-2)15(8-6-12)11-5-7-13-9-14-11/h5,7,9-10H,3-4,6,8,12H2,1-2H3
InChIKeyJZNJOEUJWBFNNT-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.43
Rot. Bonds6

About N'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine

N'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine (PubChem CID 63759066) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine
PubChem CID63759066
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine
SMILESCCC(CC)N(CCN)c1ccncn1
InChIInChI=1S/C11H20N4/c1-3-10(4-2)15(8-6-12)11-5-7-13-9-14-11/h5,7,9-10H,3-4,6,8,12H2,1-2H3
InChIKeyJZNJOEUJWBFNNT-UHFFFAOYSA-N
XLogP1.43
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine?
The IUPAC name of N'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine (CID 63759066) is N'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine.
What is the SMILES notation for N'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine?
The canonical SMILES for N'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine is CCC(CC)N(CCN)c1ccncn1.
What is the InChIKey of N'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine?
The InChIKey is JZNJOEUJWBFNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-10(4-2)15(8-6-12)11-5-7-13-9-14-11/h5,7,9-10H,3-4,6,8,12H2,1-2H3.
What are the key properties of N'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine?
N'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine is sourced from PubChem (CID 63759066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).