2-N-(1-aminopentan-3-yl)-6-(2,6-dichlorophenyl)-2-N-ethylpyrido[2,3-d]pyrimidine-2,7-diamine

C20H24Cl2N6 — CID 67696778

IUPAC2-N-(1-aminopentan-3-yl)-6-(2,6-dichlorophenyl)-2-N-ethylpyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCCC(CCN)N(CC)c1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1
InChIInChI=1S/C20H24Cl2N6/c1-3-13(8-9-23)28(4-2)20-25-11-12-10-14(18(24)26-19(12)27-20)17-15(21)6-5-7-16(17)22/h5-7,10-11,13H,3-4,8-9,23H2,1-2H3,(H2,24,25,26,27)
InChIKeyDSENPGFBVCJKGJ-UHFFFAOYSA-N
MW419.36 g/mol
LogP4.53
Rot. Bonds7

About 2-N-(1-aminopentan-3-yl)-6-(2,6-dichlorophenyl)-2-N-ethylpyrido[2,3-d]pyrimidine-2,7-diamine

2-N-(1-aminopentan-3-yl)-6-(2,6-dichlorophenyl)-2-N-ethylpyrido[2,3-d]pyrimidine-2,7-diamine (PubChem CID 67696778) has the molecular formula C20H24Cl2N6 and a molecular weight of 419.36 g/mol. Its IUPAC name is 2-N-(1-aminopentan-3-yl)-6-(2,6-dichlorophenyl)-2-N-ethylpyrido[2,3-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name2-N-(1-aminopentan-3-yl)-6-(2,6-dichlorophenyl)-2-N-ethylpyrido[2,3-d]pyrimidine-2,7-diamine
PubChem CID67696778
Molecular FormulaC20H24Cl2N6
Molecular Weight419.36 g/mol
Exact Mass418.14
IUPAC Name2-N-(1-aminopentan-3-yl)-6-(2,6-dichlorophenyl)-2-N-ethylpyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCCC(CCN)N(CC)c1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1
InChIInChI=1S/C20H24Cl2N6/c1-3-13(8-9-23)28(4-2)20-25-11-12-10-14(18(24)26-19(12)27-20)17-15(21)6-5-7-16(17)22/h5-7,10-11,13H,3-4,8-9,23H2,1-2H3,(H2,24,25,26,27)
InChIKeyDSENPGFBVCJKGJ-UHFFFAOYSA-N
XLogP4.53
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-aminopentan-3-yl)-6-(2,6-dichlorophenyl)-2-N-ethylpyrido[2,3-d]pyrimidine-2,7-diamine?
The IUPAC name of 2-N-(1-aminopentan-3-yl)-6-(2,6-dichlorophenyl)-2-N-ethylpyrido[2,3-d]pyrimidine-2,7-diamine (CID 67696778) is 2-N-(1-aminopentan-3-yl)-6-(2,6-dichlorophenyl)-2-N-ethylpyrido[2,3-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 2-N-(1-aminopentan-3-yl)-6-(2,6-dichlorophenyl)-2-N-ethylpyrido[2,3-d]pyrimidine-2,7-diamine?
The canonical SMILES for 2-N-(1-aminopentan-3-yl)-6-(2,6-dichlorophenyl)-2-N-ethylpyrido[2,3-d]pyrimidine-2,7-diamine is CCC(CCN)N(CC)c1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1.
What is the InChIKey of 2-N-(1-aminopentan-3-yl)-6-(2,6-dichlorophenyl)-2-N-ethylpyrido[2,3-d]pyrimidine-2,7-diamine?
The InChIKey is DSENPGFBVCJKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N6/c1-3-13(8-9-23)28(4-2)20-25-11-12-10-14(18(24)26-19(12)27-20)17-15(21)6-5-7-16(17)22/h5-7,10-11,13H,3-4,8-9,23H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 2-N-(1-aminopentan-3-yl)-6-(2,6-dichlorophenyl)-2-N-ethylpyrido[2,3-d]pyrimidine-2,7-diamine?
2-N-(1-aminopentan-3-yl)-6-(2,6-dichlorophenyl)-2-N-ethylpyrido[2,3-d]pyrimidine-2,7-diamine has a molecular weight of 419.36 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-aminopentan-3-yl)-6-(2,6-dichlorophenyl)-2-N-ethylpyrido[2,3-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 67696778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).