N'-[4-[2-amino-4,6-bis(furan-2-yl)pyrimidin-5-yl]-2-pyridinyl]ethane-1,2-diamine

C19H18N6O2 — CID 59749144

IUPACN'-[4-[2-amino-4,6-bis(furan-2-yl)pyrimidin-5-yl]-2-pyridinyl]ethane-1,2-diamine
SMILESNCCNc1cc(-c2c(-c3ccco3)nc(N)nc2-c2ccco2)ccn1
InChIInChI=1S/C19H18N6O2/c20-6-8-23-15-11-12(5-7-22-15)16-17(13-3-1-9-26-13)24-19(21)25-18(16)14-4-2-10-27-14/h1-5,7,9-11H,6,8,20H2,(H,22,23)(H2,21,24,25)
InChIKeyUKSUALOBQZVRCE-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.01
Rot. Bonds6

About N'-[4-[2-amino-4,6-bis(furan-2-yl)pyrimidin-5-yl]-2-pyridinyl]ethane-1,2-diamine

N'-[4-[2-amino-4,6-bis(furan-2-yl)pyrimidin-5-yl]-2-pyridinyl]ethane-1,2-diamine (PubChem CID 59749144) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N'-[4-[2-amino-4,6-bis(furan-2-yl)pyrimidin-5-yl]-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-[2-amino-4,6-bis(furan-2-yl)pyrimidin-5-yl]-2-pyridinyl]ethane-1,2-diamine
PubChem CID59749144
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN'-[4-[2-amino-4,6-bis(furan-2-yl)pyrimidin-5-yl]-2-pyridinyl]ethane-1,2-diamine
SMILESNCCNc1cc(-c2c(-c3ccco3)nc(N)nc2-c2ccco2)ccn1
InChIInChI=1S/C19H18N6O2/c20-6-8-23-15-11-12(5-7-22-15)16-17(13-3-1-9-26-13)24-19(21)25-18(16)14-4-2-10-27-14/h1-5,7,9-11H,6,8,20H2,(H,22,23)(H2,21,24,25)
InChIKeyUKSUALOBQZVRCE-UHFFFAOYSA-N
XLogP3.01
TPSA129.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[2-amino-4,6-bis(furan-2-yl)pyrimidin-5-yl]-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-[4-[2-amino-4,6-bis(furan-2-yl)pyrimidin-5-yl]-2-pyridinyl]ethane-1,2-diamine (CID 59749144) is N'-[4-[2-amino-4,6-bis(furan-2-yl)pyrimidin-5-yl]-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-[2-amino-4,6-bis(furan-2-yl)pyrimidin-5-yl]-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-[2-amino-4,6-bis(furan-2-yl)pyrimidin-5-yl]-2-pyridinyl]ethane-1,2-diamine is NCCNc1cc(-c2c(-c3ccco3)nc(N)nc2-c2ccco2)ccn1.
What is the InChIKey of N'-[4-[2-amino-4,6-bis(furan-2-yl)pyrimidin-5-yl]-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is UKSUALOBQZVRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c20-6-8-23-15-11-12(5-7-22-15)16-17(13-3-1-9-26-13)24-19(21)25-18(16)14-4-2-10-27-14/h1-5,7,9-11H,6,8,20H2,(H,22,23)(H2,21,24,25).
What are the key properties of N'-[4-[2-amino-4,6-bis(furan-2-yl)pyrimidin-5-yl]-2-pyridinyl]ethane-1,2-diamine?
N'-[4-[2-amino-4,6-bis(furan-2-yl)pyrimidin-5-yl]-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 362.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[2-amino-4,6-bis(furan-2-yl)pyrimidin-5-yl]-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 59749144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).