N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-2-amine;dihydrochloride

C18H25Cl2N5O — CID 155836335

IUPACN-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-2-amine;dihydrochloride
SMILESCl.Cl.c1cnc(NCc2cncc3c2CCN(C2CCOCC2)C3)nc1
InChIInChI=1S/C18H23N5O.2ClH/c1-5-20-18(21-6-1)22-12-14-10-19-11-15-13-23(7-2-17(14)15)16-3-8-24-9-4-16;;/h1,5-6,10-11,16H,2-4,7-9,12-13H2,(H,20,21,22);2*1H
InChIKeySBODFALPHNVPAO-UHFFFAOYSA-N
MW398.34 g/mol
LogP2.86
Rot. Bonds4

About N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-2-amine;dihydrochloride

N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-2-amine;dihydrochloride (PubChem CID 155836335) has the molecular formula C18H25Cl2N5O and a molecular weight of 398.34 g/mol. Its IUPAC name is N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-2-amine;dihydrochloride
PubChem CID155836335
Molecular FormulaC18H25Cl2N5O
Molecular Weight398.34 g/mol
Exact Mass397.14
IUPAC NameN-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-2-amine;dihydrochloride
SMILESCl.Cl.c1cnc(NCc2cncc3c2CCN(C2CCOCC2)C3)nc1
InChIInChI=1S/C18H23N5O.2ClH/c1-5-20-18(21-6-1)22-12-14-10-19-11-15-13-23(7-2-17(14)15)16-3-8-24-9-4-16;;/h1,5-6,10-11,16H,2-4,7-9,12-13H2,(H,20,21,22);2*1H
InChIKeySBODFALPHNVPAO-UHFFFAOYSA-N
XLogP2.86
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-2-amine;dihydrochloride?
The IUPAC name of N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-2-amine;dihydrochloride (CID 155836335) is N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-2-amine;dihydrochloride.
What is the SMILES notation for N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-2-amine;dihydrochloride?
The canonical SMILES for N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-2-amine;dihydrochloride is Cl.Cl.c1cnc(NCc2cncc3c2CCN(C2CCOCC2)C3)nc1.
What is the InChIKey of N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-2-amine;dihydrochloride?
The InChIKey is SBODFALPHNVPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O.2ClH/c1-5-20-18(21-6-1)22-12-14-10-19-11-15-13-23(7-2-17(14)15)16-3-8-24-9-4-16;;/h1,5-6,10-11,16H,2-4,7-9,12-13H2,(H,20,21,22);2*1H.
What are the key properties of N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-2-amine;dihydrochloride?
N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-2-amine;dihydrochloride has a molecular weight of 398.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-2-amine;dihydrochloride is sourced from PubChem (CID 155836335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).