8-chloro-2-(1,4-dioxan-2-ylmethoxy)-N-(furan-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine

C17H17ClN4O4 — CID 171561803

IUPAC8-chloro-2-(1,4-dioxan-2-ylmethoxy)-N-(furan-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESClc1ccnc2c(NCc3ccco3)nc(OCC3COCCO3)nc12
InChIInChI=1S/C17H17ClN4O4/c18-13-3-4-19-15-14(13)21-17(26-10-12-9-23-6-7-25-12)22-16(15)20-8-11-2-1-5-24-11/h1-5,12H,6-10H2,(H,20,21,22)
InChIKeySWLDZFXJNMZJGF-UHFFFAOYSA-N
MW376.80 g/mol
LogP2.68
Rot. Bonds6

About 8-chloro-2-(1,4-dioxan-2-ylmethoxy)-N-(furan-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine

8-chloro-2-(1,4-dioxan-2-ylmethoxy)-N-(furan-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 171561803) has the molecular formula C17H17ClN4O4 and a molecular weight of 376.80 g/mol. Its IUPAC name is 8-chloro-2-(1,4-dioxan-2-ylmethoxy)-N-(furan-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name8-chloro-2-(1,4-dioxan-2-ylmethoxy)-N-(furan-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID171561803
Molecular FormulaC17H17ClN4O4
Molecular Weight376.80 g/mol
Exact Mass376.09
IUPAC Name8-chloro-2-(1,4-dioxan-2-ylmethoxy)-N-(furan-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESClc1ccnc2c(NCc3ccco3)nc(OCC3COCCO3)nc12
InChIInChI=1S/C17H17ClN4O4/c18-13-3-4-19-15-14(13)21-17(26-10-12-9-23-6-7-25-12)22-16(15)20-8-11-2-1-5-24-11/h1-5,12H,6-10H2,(H,20,21,22)
InChIKeySWLDZFXJNMZJGF-UHFFFAOYSA-N
XLogP2.68
TPSA91.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-chloro-2-(1,4-dioxan-2-ylmethoxy)-N-(furan-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine
CID 134480891
N-(furan-2-ylmethyl)-8-methoxy-2-methylpyrido[3,2-d]pyrimidin-4-amine
CID 174269563
5-bromo-3-chloro-N-(furan-2-ylmethyl)pyridin-2-amine
CID 82489662
5-[[2,7-dichloro-4-(furan-2-ylmethylamino)quinazolin-8-yl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one
CID 171562018
2,7-dichloro-5-N-fluoro-4-N-(furan-2-ylmethyl)-5-N-(oxan-3-yl)pyrrolo[3,2-d]pyrimidine-4,5-diamine
CID 170644128
N-(furan-2-ylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
CID 97485111
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
3-(furan-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80508635
2,7-dichloro-5-N-fluoro-4-N-(furan-2-ylmethyl)-5-N-(oxan-3-yl)pyrrolo[3,2-d]pyrimidine-4,5-diamine;ethane
CID 170644127
3-(furan-2-ylmethylamino)pyrazine-2-carbonitrile
CID 62671433
4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62869024
4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889389

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(1,4-dioxan-2-ylmethoxy)-N-(furan-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 8-chloro-2-(1,4-dioxan-2-ylmethoxy)-N-(furan-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine (CID 171561803) is 8-chloro-2-(1,4-dioxan-2-ylmethoxy)-N-(furan-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 8-chloro-2-(1,4-dioxan-2-ylmethoxy)-N-(furan-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 8-chloro-2-(1,4-dioxan-2-ylmethoxy)-N-(furan-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine is Clc1ccnc2c(NCc3ccco3)nc(OCC3COCCO3)nc12.
What is the InChIKey of 8-chloro-2-(1,4-dioxan-2-ylmethoxy)-N-(furan-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is SWLDZFXJNMZJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O4/c18-13-3-4-19-15-14(13)21-17(26-10-12-9-23-6-7-25-12)22-16(15)20-8-11-2-1-5-24-11/h1-5,12H,6-10H2,(H,20,21,22).
What are the key properties of 8-chloro-2-(1,4-dioxan-2-ylmethoxy)-N-(furan-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine?
8-chloro-2-(1,4-dioxan-2-ylmethoxy)-N-(furan-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 376.80 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(1,4-dioxan-2-ylmethoxy)-N-(furan-2-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 171561803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).