N'-ethyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine

C10H18N4 — CID 62698388

IUPACN'-ethyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
SMILESCCN(CCCN)Cc1ncccn1
InChIInChI=1S/C10H18N4/c1-2-14(8-3-5-11)9-10-12-6-4-7-13-10/h4,6-7H,2-3,5,8-9,11H2,1H3
InChIKeyLBAYMPVHQBLXSU-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.65
Rot. Bonds6

About N'-ethyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine

N'-ethyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine (PubChem CID 62698388) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-ethyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
PubChem CID62698388
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN'-ethyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
SMILESCCN(CCCN)Cc1ncccn1
InChIInChI=1S/C10H18N4/c1-2-14(8-3-5-11)9-10-12-6-4-7-13-10/h4,6-7H,2-3,5,8-9,11H2,1H3
InChIKeyLBAYMPVHQBLXSU-UHFFFAOYSA-N
XLogP0.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine (CID 62698388) is N'-ethyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine is CCN(CCCN)Cc1ncccn1.
What is the InChIKey of N'-ethyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine?
The InChIKey is LBAYMPVHQBLXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-14(8-3-5-11)9-10-12-6-4-7-13-10/h4,6-7H,2-3,5,8-9,11H2,1H3.
What are the key properties of N'-ethyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine?
N'-ethyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine has a molecular weight of 194.28 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62698388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).