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

C16H21N5O — CID 119074868

IUPACN'-[6-(oxolan-3-yl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine
SMILESc1cncc(NCCCNc2cc(C3CCOC3)ncn2)c1
InChIInChI=1S/C16H21N5O/c1-3-14(10-17-5-1)18-6-2-7-19-16-9-15(20-12-21-16)13-4-8-22-11-13/h1,3,5,9-10,12-13,18H,2,4,6-8,11H2,(H,19,20,21)
InChIKeyRMFRRFHGPFFJBZ-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.29
Rot. Bonds7

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

N'-[6-(oxolan-3-yl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine (PubChem CID 119074868) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N'-[6-(oxolan-3-yl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[6-(oxolan-3-yl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine
PubChem CID119074868
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN'-[6-(oxolan-3-yl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine
SMILESc1cncc(NCCCNc2cc(C3CCOC3)ncn2)c1
InChIInChI=1S/C16H21N5O/c1-3-14(10-17-5-1)18-6-2-7-19-16-9-15(20-12-21-16)13-4-8-22-11-13/h1,3,5,9-10,12-13,18H,2,4,6-8,11H2,(H,19,20,21)
InChIKeyRMFRRFHGPFFJBZ-UHFFFAOYSA-N
XLogP2.29
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.29
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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Related Compounds

N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 126848768
6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine
CID 126447609
N-(3-methyl-4-pyridinyl)-N'-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]ethane-1,2-diamine
CID 126452694
1-[4-[(3S)-oxolan-3-yl]-6-[3-(pyridin-3-ylamino)propylamino]pyrimidin-2-yl]azetidin-3-ol
CID 126445763
2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
CID 126848755
4-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]butanoic acid
CID 118770776
6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 126444749
N-[2-(4-fluorophenoxy)ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119067292
N-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126453717
N-[2-(2-chlorophenoxy)ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119065142
N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126444261
N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125177138

Frequently Asked Questions

What is the IUPAC name of N'-[6-(oxolan-3-yl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine?
The IUPAC name of N'-[6-(oxolan-3-yl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine (CID 119074868) is N'-[6-(oxolan-3-yl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[6-(oxolan-3-yl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine?
The canonical SMILES for N'-[6-(oxolan-3-yl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine is c1cncc(NCCCNc2cc(C3CCOC3)ncn2)c1.
What is the InChIKey of N'-[6-(oxolan-3-yl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine?
The InChIKey is RMFRRFHGPFFJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-3-14(10-17-5-1)18-6-2-7-19-16-9-15(20-12-21-16)13-4-8-22-11-13/h1,3,5,9-10,12-13,18H,2,4,6-8,11H2,(H,19,20,21).
What are the key properties of N'-[6-(oxolan-3-yl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine?
N'-[6-(oxolan-3-yl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine has a molecular weight of 299.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(oxolan-3-yl)pyrimidin-4-yl]-N-pyridin-3-ylpropane-1,3-diamine is sourced from PubChem (CID 119074868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).