N-ethyl-4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine

C15H20N6O2 — CID 145257167

IUPACN-ethyl-4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCCNc1nc(OCCOC)c2c(ccn2-c2cnn(C)c2)n1
InChIInChI=1S/C15H20N6O2/c1-4-16-15-18-12-5-6-21(11-9-17-20(2)10-11)13(12)14(19-15)23-8-7-22-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,18,19)
InChIKeySDNFGJLFELODRT-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.61
Rot. Bonds7

About N-ethyl-4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine

N-ethyl-4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 145257167) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-ethyl-4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID145257167
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-ethyl-4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCCNc1nc(OCCOC)c2c(ccn2-c2cnn(C)c2)n1
InChIInChI=1S/C15H20N6O2/c1-4-16-15-18-12-5-6-21(11-9-17-20(2)10-11)13(12)14(19-15)23-8-7-22-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,18,19)
InChIKeySDNFGJLFELODRT-UHFFFAOYSA-N
XLogP1.61
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine
CID 145257094
5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-phenylpyrrolo[3,2-d]pyrimidin-2-amine
CID 135129166
N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-3H-dithiole-3-carboxamide
CID 154827158
5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-(1-phenylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine
CID 135129208
N-cyclopropyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophene-3-carboxamide
CID 135129104
N-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine
CID 113427596
N-ethyl-4-methyl-1-(1-methylpyrazol-4-yl)imidazol-2-amine
CID 106562115
5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide
CID 158668814
4-N-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 135129265
N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
CID 103333500
5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine
CID 103408326
N-ethyl-4-propoxyquinazolin-2-amine
CID 80867291

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine (CID 145257167) is N-ethyl-4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine is CCNc1nc(OCCOC)c2c(ccn2-c2cnn(C)c2)n1.
What is the InChIKey of N-ethyl-4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is SDNFGJLFELODRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-4-16-15-18-12-5-6-21(11-9-17-20(2)10-11)13(12)14(19-15)23-8-7-22-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,18,19).
What are the key properties of N-ethyl-4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine?
N-ethyl-4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 316.37 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 145257167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).