N'-[6-(methoxymethyl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine

C14H19N5O — CID 72858880

IUPACN'-[6-(methoxymethyl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine
SMILESCOCc1cc(NCCCNc2cccnc2)ncn1
InChIInChI=1S/C14H19N5O/c1-20-10-13-8-14(19-11-18-13)17-7-3-6-16-12-4-2-5-15-9-12/h2,4-5,8-9,11,16H,3,6-7,10H2,1H3,(H,17,18,19)
InChIKeyRXXCZWDWBCTDPL-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.93
Rot. Bonds8

About N'-[6-(methoxymethyl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine

N'-[6-(methoxymethyl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine (PubChem CID 72858880) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N'-[6-(methoxymethyl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[6-(methoxymethyl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine
PubChem CID72858880
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN'-[6-(methoxymethyl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine
SMILESCOCc1cc(NCCCNc2cccnc2)ncn1
InChIInChI=1S/C14H19N5O/c1-20-10-13-8-14(19-11-18-13)17-7-3-6-16-12-4-2-5-15-9-12/h2,4-5,8-9,11,16H,3,6-7,10H2,1H3,(H,17,18,19)
InChIKeyRXXCZWDWBCTDPL-UHFFFAOYSA-N
XLogP1.93
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[6-(methoxymethyl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine?
The IUPAC name of N'-[6-(methoxymethyl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine (CID 72858880) is N'-[6-(methoxymethyl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[6-(methoxymethyl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine?
The canonical SMILES for N'-[6-(methoxymethyl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine is COCc1cc(NCCCNc2cccnc2)ncn1.
What is the InChIKey of N'-[6-(methoxymethyl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine?
The InChIKey is RXXCZWDWBCTDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-20-10-13-8-14(19-11-18-13)17-7-3-6-16-12-4-2-5-15-9-12/h2,4-5,8-9,11,16H,3,6-7,10H2,1H3,(H,17,18,19).
What are the key properties of N'-[6-(methoxymethyl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine?
N'-[6-(methoxymethyl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine has a molecular weight of 273.34 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(methoxymethyl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine is sourced from PubChem (CID 72858880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).