1-N-(5-chloro-2-methoxypyrimidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine

C14H15ClN4O — CID 80752845

IUPAC1-N-(5-chloro-2-methoxypyrimidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCOc1ncc(Cl)c(NC2CCc3cc(N)ccc32)n1
InChIInChI=1S/C14H15ClN4O/c1-20-14-17-7-11(15)13(19-14)18-12-5-2-8-6-9(16)3-4-10(8)12/h3-4,6-7,12H,2,5,16H2,1H3,(H,17,18,19)
InChIKeyWXVLWYRQKLKDNP-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.82
Rot. Bonds3

About 1-N-(5-chloro-2-methoxypyrimidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(5-chloro-2-methoxypyrimidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 80752845) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-N-(5-chloro-2-methoxypyrimidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(5-chloro-2-methoxypyrimidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID80752845
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name1-N-(5-chloro-2-methoxypyrimidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCOc1ncc(Cl)c(NC2CCc3cc(N)ccc32)n1
InChIInChI=1S/C14H15ClN4O/c1-20-14-17-7-11(15)13(19-14)18-12-5-2-8-6-9(16)3-4-10(8)12/h3-4,6-7,12H,2,5,16H2,1H3,(H,17,18,19)
InChIKeyWXVLWYRQKLKDNP-UHFFFAOYSA-N
XLogP2.82
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloro-2-methoxypyrimidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(5-chloro-2-methoxypyrimidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine (CID 80752845) is 1-N-(5-chloro-2-methoxypyrimidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(5-chloro-2-methoxypyrimidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(5-chloro-2-methoxypyrimidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine is COc1ncc(Cl)c(NC2CCc3cc(N)ccc32)n1.
What is the InChIKey of 1-N-(5-chloro-2-methoxypyrimidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is WXVLWYRQKLKDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-20-14-17-7-11(15)13(19-14)18-12-5-2-8-6-9(16)3-4-10(8)12/h3-4,6-7,12H,2,5,16H2,1H3,(H,17,18,19).
What are the key properties of 1-N-(5-chloro-2-methoxypyrimidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(5-chloro-2-methoxypyrimidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 290.75 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chloro-2-methoxypyrimidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 80752845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).