5-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine

C20H30N6O — CID 50997768

IUPAC5-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCC3CCN(CC4CCNCC4)CC3)cccc2n1
InChIInChI=1S/C20H30N6O/c21-19-18-16(24-20(22)25-19)2-1-3-17(18)27-13-15-6-10-26(11-7-15)12-14-4-8-23-9-5-14/h1-3,14-15,23H,4-13H2,(H4,21,22,24,25)
InChIKeyJTQUNOCVLDTSPO-UHFFFAOYSA-N
MW370.50 g/mol
LogP1.88
Rot. Bonds5

About 5-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine

5-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine (PubChem CID 50997768) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 5-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine
PubChem CID50997768
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name5-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCC3CCN(CC4CCNCC4)CC3)cccc2n1
InChIInChI=1S/C20H30N6O/c21-19-18-16(24-20(22)25-19)2-1-3-17(18)27-13-15-6-10-26(11-7-15)12-14-4-8-23-9-5-14/h1-3,14-15,23H,4-13H2,(H4,21,22,24,25)
InChIKeyJTQUNOCVLDTSPO-UHFFFAOYSA-N
XLogP1.88
TPSA102.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine with MolForge

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Related Compounds

5-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 67301914
5-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 67301832
5-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 25007785
5-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 67302380
5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 67301909
1-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 67302115
5-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 25002763
tert-butyl 4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidine-1-carboxylate
CID 66924145
1-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-2-ethylbutan-1-one
CID 67301583
[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 67302160
5-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]quinazoline-2,4-diamine
CID 25003846
[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylphenyl)methanone
CID 25002416

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine (CID 50997768) is 5-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine is Nc1nc(N)c2c(OCC3CCN(CC4CCNCC4)CC3)cccc2n1.
What is the InChIKey of 5-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The InChIKey is JTQUNOCVLDTSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c21-19-18-16(24-20(22)25-19)2-1-3-17(18)27-13-15-6-10-26(11-7-15)12-14-4-8-23-9-5-14/h1-3,14-15,23H,4-13H2,(H4,21,22,24,25).
What are the key properties of 5-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
5-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine has a molecular weight of 370.50 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 50997768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).