2-[1-(cyclopropylmethoxy)-6-methyl-2,7-naphthyridin-4-yl]propan-2-amine;formaldehyde;methanol

C18H27N3O3 — CID 165117738

IUPAC2-[1-(cyclopropylmethoxy)-6-methyl-2,7-naphthyridin-4-yl]propan-2-amine;formaldehyde;methanol
SMILESC=O.CO.Cc1cc2c(C(C)(C)N)cnc(OCC3CC3)c2cn1
InChIInChI=1S/C16H21N3O.CH4O.CH2O/c1-10-6-12-13(7-18-10)15(20-9-11-4-5-11)19-8-14(12)16(2,3)17;2*1-2/h6-8,11H,4-5,9,17H2,1-3H3;2H,1H3;1H2
InChIKeyHSISXTZQAHLNMB-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.34
Rot. Bonds4

About 2-[1-(cyclopropylmethoxy)-6-methyl-2,7-naphthyridin-4-yl]propan-2-amine;formaldehyde;methanol

2-[1-(cyclopropylmethoxy)-6-methyl-2,7-naphthyridin-4-yl]propan-2-amine;formaldehyde;methanol (PubChem CID 165117738) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethoxy)-6-methyl-2,7-naphthyridin-4-yl]propan-2-amine;formaldehyde;methanol.

Molecular Properties

Compound Name2-[1-(cyclopropylmethoxy)-6-methyl-2,7-naphthyridin-4-yl]propan-2-amine;formaldehyde;methanol
PubChem CID165117738
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-[1-(cyclopropylmethoxy)-6-methyl-2,7-naphthyridin-4-yl]propan-2-amine;formaldehyde;methanol
SMILESC=O.CO.Cc1cc2c(C(C)(C)N)cnc(OCC3CC3)c2cn1
InChIInChI=1S/C16H21N3O.CH4O.CH2O/c1-10-6-12-13(7-18-10)15(20-9-11-4-5-11)19-8-14(12)16(2,3)17;2*1-2/h6-8,11H,4-5,9,17H2,1-3H3;2H,1H3;1H2
InChIKeyHSISXTZQAHLNMB-UHFFFAOYSA-N
XLogP2.34
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-chloro-1-[(1-oxothietan-3-yl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine
CID 166483812
tert-butyl 2-[[4-(2-aminopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxymethyl]pyrrolidine-1-carboxylate
CID 165117745
2-[6-methyl-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine
CID 166663963
2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane
CID 166484011
2-[6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridin-4-yl]propan-2-amine
CID 167261698
2-[6-chloro-1-(3-methylsulfinylcyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine
CID 166483706
4-(cyclopropylmethoxy)-5-methoxy-6-methylpyrimidine
CID 129261235
N-[[2-(cyclopropylmethoxy)-4,6-dimethyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62291511
5-bromo-6-(cyclopropylmethoxy)pyridine-3-carboxylic acid
CID 21109708
2-[6-chloro-1-(3-methyl-1-oxothietan-3-yl)oxy-2,7-naphthyridin-4-yl]propan-2-amine
CID 166483540
5-bromo-4-(cyclopropylmethoxy)-2-methylpyridine
CID 144638458
2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine
CID 117427905

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethoxy)-6-methyl-2,7-naphthyridin-4-yl]propan-2-amine;formaldehyde;methanol?
The IUPAC name of 2-[1-(cyclopropylmethoxy)-6-methyl-2,7-naphthyridin-4-yl]propan-2-amine;formaldehyde;methanol (CID 165117738) is 2-[1-(cyclopropylmethoxy)-6-methyl-2,7-naphthyridin-4-yl]propan-2-amine;formaldehyde;methanol.
What is the SMILES notation for 2-[1-(cyclopropylmethoxy)-6-methyl-2,7-naphthyridin-4-yl]propan-2-amine;formaldehyde;methanol?
The canonical SMILES for 2-[1-(cyclopropylmethoxy)-6-methyl-2,7-naphthyridin-4-yl]propan-2-amine;formaldehyde;methanol is C=O.CO.Cc1cc2c(C(C)(C)N)cnc(OCC3CC3)c2cn1.
What is the InChIKey of 2-[1-(cyclopropylmethoxy)-6-methyl-2,7-naphthyridin-4-yl]propan-2-amine;formaldehyde;methanol?
The InChIKey is HSISXTZQAHLNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O.CH4O.CH2O/c1-10-6-12-13(7-18-10)15(20-9-11-4-5-11)19-8-14(12)16(2,3)17;2*1-2/h6-8,11H,4-5,9,17H2,1-3H3;2H,1H3;1H2.
What are the key properties of 2-[1-(cyclopropylmethoxy)-6-methyl-2,7-naphthyridin-4-yl]propan-2-amine;formaldehyde;methanol?
2-[1-(cyclopropylmethoxy)-6-methyl-2,7-naphthyridin-4-yl]propan-2-amine;formaldehyde;methanol has a molecular weight of 333.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethoxy)-6-methyl-2,7-naphthyridin-4-yl]propan-2-amine;formaldehyde;methanol is sourced from PubChem (CID 165117738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).