N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]cyclopropanamine

C17H18N4O — CID 129045019

IUPACN-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]cyclopropanamine
SMILESCn1ccc2cc(Oc3cc(CNC4CC4)ncn3)ccc21
InChIInChI=1S/C17H18N4O/c1-21-7-6-12-8-15(4-5-16(12)21)22-17-9-14(19-11-20-17)10-18-13-2-3-13/h4-9,11,13,18H,2-3,10H2,1H3
InChIKeyKDAAEFIAKULNIF-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.01
Rot. Bonds5

About N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]cyclopropanamine

N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 129045019) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID129045019
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]cyclopropanamine
SMILESCn1ccc2cc(Oc3cc(CNC4CC4)ncn3)ccc21
InChIInChI=1S/C17H18N4O/c1-21-7-6-12-8-15(4-5-16(12)21)22-17-9-14(19-11-20-17)10-18-13-2-3-13/h4-9,11,13,18H,2-3,10H2,1H3
InChIKeyKDAAEFIAKULNIF-UHFFFAOYSA-N
XLogP3.01
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Surufatinib
CID 52920501
Acrizanib
CID 59394698
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
5-[(1E)-(ethoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 16066844
5-[(1E)-(methoxyimino)methyl]-6-(quinolin-6-yloxy)pyrimidin-4-amine
CID 23644667
6-(1H-indol-5-yloxy)-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646047
5-[(1E)-(methoxyimino)methyl]-6-[(1-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646048
5-[(1E)-(methoxyimino)methyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646049
5-[(1E)-(methoxyimino)methyl]-6-[(3-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646050
6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646051
6-[(6-fluoro-1H-indol-5-yl)oxy]-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646052
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-(propoxyimino)methyl]pyrimidin-4-amine
CID 23646053

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]cyclopropanamine (CID 129045019) is N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]cyclopropanamine is Cn1ccc2cc(Oc3cc(CNC4CC4)ncn3)ccc21.
What is the InChIKey of N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is KDAAEFIAKULNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-21-7-6-12-8-15(4-5-16(12)21)22-17-9-14(19-11-20-17)10-18-13-2-3-13/h4-9,11,13,18H,2-3,10H2,1H3.
What are the key properties of N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]cyclopropanamine?
N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 294.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 129045019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).