7-[4-(aminomethyl)piperidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine

C19H20Cl2N6 — CID 134211394

IUPAC7-[4-(aminomethyl)piperidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine
SMILESNCC1CCN(c2nc3nc(N)ncc3cc2-c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C19H20Cl2N6/c20-14-2-1-3-15(21)16(14)13-8-12-10-24-19(23)26-17(12)25-18(13)27-6-4-11(9-22)5-7-27/h1-3,8,10-11H,4-7,9,22H2,(H2,23,24,25,26)
InChIKeyBKFNWKONKFIXTJ-UHFFFAOYSA-N
MW403.32 g/mol
LogP3.76
Rot. Bonds3

About 7-[4-(aminomethyl)piperidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine

7-[4-(aminomethyl)piperidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 134211394) has the molecular formula C19H20Cl2N6 and a molecular weight of 403.32 g/mol. Its IUPAC name is 7-[4-(aminomethyl)piperidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-[4-(aminomethyl)piperidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine
PubChem CID134211394
Molecular FormulaC19H20Cl2N6
Molecular Weight403.32 g/mol
Exact Mass402.11
IUPAC Name7-[4-(aminomethyl)piperidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine
SMILESNCC1CCN(c2nc3nc(N)ncc3cc2-c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C19H20Cl2N6/c20-14-2-1-3-15(21)16(14)13-8-12-10-24-19(23)26-17(12)25-18(13)27-6-4-11(9-22)5-7-27/h1-3,8,10-11H,4-7,9,22H2,(H2,23,24,25,26)
InChIKeyBKFNWKONKFIXTJ-UHFFFAOYSA-N
XLogP3.76
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(aminomethyl)piperidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-[4-(aminomethyl)piperidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine (CID 134211394) is 7-[4-(aminomethyl)piperidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-[4-(aminomethyl)piperidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-[4-(aminomethyl)piperidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine is NCC1CCN(c2nc3nc(N)ncc3cc2-c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 7-[4-(aminomethyl)piperidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is BKFNWKONKFIXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N6/c20-14-2-1-3-15(21)16(14)13-8-12-10-24-19(23)26-17(12)25-18(13)27-6-4-11(9-22)5-7-27/h1-3,8,10-11H,4-7,9,22H2,(H2,23,24,25,26).
What are the key properties of 7-[4-(aminomethyl)piperidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine?
7-[4-(aminomethyl)piperidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 403.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(aminomethyl)piperidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 134211394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).