4-(2,7-diazaspiro[4.5]decan-7-yl)-6-methylpyrido[3,2-d]pyrimidine;dihydrochloride

C16H23Cl2N5 — CID 154919890

IUPAC4-(2,7-diazaspiro[4.5]decan-7-yl)-6-methylpyrido[3,2-d]pyrimidine;dihydrochloride
SMILESCc1ccc2ncnc(N3CCCC4(CCNC4)C3)c2n1.Cl.Cl
InChIInChI=1S/C16H21N5.2ClH/c1-12-3-4-13-14(20-12)15(19-11-18-13)21-8-2-5-16(10-21)6-7-17-9-16;;/h3-4,11,17H,2,5-10H2,1H3;2*1H
InChIKeyPNUDOFWNWBKEPI-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.76
Rot. Bonds1

About 4-(2,7-diazaspiro[4.5]decan-7-yl)-6-methylpyrido[3,2-d]pyrimidine;dihydrochloride

4-(2,7-diazaspiro[4.5]decan-7-yl)-6-methylpyrido[3,2-d]pyrimidine;dihydrochloride (PubChem CID 154919890) has the molecular formula C16H23Cl2N5 and a molecular weight of 356.30 g/mol. Its IUPAC name is 4-(2,7-diazaspiro[4.5]decan-7-yl)-6-methylpyrido[3,2-d]pyrimidine;dihydrochloride.

Molecular Properties

Compound Name4-(2,7-diazaspiro[4.5]decan-7-yl)-6-methylpyrido[3,2-d]pyrimidine;dihydrochloride
PubChem CID154919890
Molecular FormulaC16H23Cl2N5
Molecular Weight356.30 g/mol
Exact Mass355.13
IUPAC Name4-(2,7-diazaspiro[4.5]decan-7-yl)-6-methylpyrido[3,2-d]pyrimidine;dihydrochloride
SMILESCc1ccc2ncnc(N3CCCC4(CCNC4)C3)c2n1.Cl.Cl
InChIInChI=1S/C16H21N5.2ClH/c1-12-3-4-13-14(20-12)15(19-11-18-13)21-8-2-5-16(10-21)6-7-17-9-16;;/h3-4,11,17H,2,5-10H2,1H3;2*1H
InChIKeyPNUDOFWNWBKEPI-UHFFFAOYSA-N
XLogP2.76
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,7-diazaspiro[4.5]decan-7-yl)-6-methylpyrido[3,2-d]pyrimidine;dihydrochloride?
The IUPAC name of 4-(2,7-diazaspiro[4.5]decan-7-yl)-6-methylpyrido[3,2-d]pyrimidine;dihydrochloride (CID 154919890) is 4-(2,7-diazaspiro[4.5]decan-7-yl)-6-methylpyrido[3,2-d]pyrimidine;dihydrochloride.
What is the SMILES notation for 4-(2,7-diazaspiro[4.5]decan-7-yl)-6-methylpyrido[3,2-d]pyrimidine;dihydrochloride?
The canonical SMILES for 4-(2,7-diazaspiro[4.5]decan-7-yl)-6-methylpyrido[3,2-d]pyrimidine;dihydrochloride is Cc1ccc2ncnc(N3CCCC4(CCNC4)C3)c2n1.Cl.Cl.
What is the InChIKey of 4-(2,7-diazaspiro[4.5]decan-7-yl)-6-methylpyrido[3,2-d]pyrimidine;dihydrochloride?
The InChIKey is PNUDOFWNWBKEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5.2ClH/c1-12-3-4-13-14(20-12)15(19-11-18-13)21-8-2-5-16(10-21)6-7-17-9-16;;/h3-4,11,17H,2,5-10H2,1H3;2*1H.
What are the key properties of 4-(2,7-diazaspiro[4.5]decan-7-yl)-6-methylpyrido[3,2-d]pyrimidine;dihydrochloride?
4-(2,7-diazaspiro[4.5]decan-7-yl)-6-methylpyrido[3,2-d]pyrimidine;dihydrochloride has a molecular weight of 356.30 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-diazaspiro[4.5]decan-7-yl)-6-methylpyrido[3,2-d]pyrimidine;dihydrochloride is sourced from PubChem (CID 154919890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).