N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-propoxypyrimidin-4-amine

C13H19N5O2 — CID 66330572

IUPACN-[1-(2-methoxyethyl)pyrazol-4-yl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(Nc2cnn(CCOC)c2)ncn1
InChIInChI=1S/C13H19N5O2/c1-3-5-20-13-7-12(14-10-15-13)17-11-8-16-18(9-11)4-6-19-2/h7-10H,3-6H2,1-2H3,(H,14,15,17)
InChIKeyRQAQBFVISXGEOS-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.85
Rot. Bonds8

About N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-propoxypyrimidin-4-amine

N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-propoxypyrimidin-4-amine (PubChem CID 66330572) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-6-propoxypyrimidin-4-amine
PubChem CID66330572
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(Nc2cnn(CCOC)c2)ncn1
InChIInChI=1S/C13H19N5O2/c1-3-5-20-13-7-12(14-10-15-13)17-11-8-16-18(9-11)4-6-19-2/h7-10H,3-6H2,1-2H3,(H,14,15,17)
InChIKeyRQAQBFVISXGEOS-UHFFFAOYSA-N
XLogP1.85
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazin-2-amine
CID 60967013
6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile
CID 60968027
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
6-ethoxy-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
CID 66328422
4-ethoxy-5-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2-thiazole-3,5-diamine
CID 103360108
N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine
CID 66280045
1-(3-ethoxypropyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-2-amine
CID 106567628
2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine
CID 133338800
2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine
CID 133442537
N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3,4,5-tetrahydropyridin-6-amine
CID 99992582
1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea
CID 115590262
3,5-difluoro-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]benzonitrile
CID 81293517

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-propoxypyrimidin-4-amine?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-propoxypyrimidin-4-amine (CID 66330572) is N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-propoxypyrimidin-4-amine is CCCOc1cc(Nc2cnn(CCOC)c2)ncn1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-propoxypyrimidin-4-amine?
The InChIKey is RQAQBFVISXGEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-3-5-20-13-7-12(14-10-15-13)17-11-8-16-18(9-11)4-6-19-2/h7-10H,3-6H2,1-2H3,(H,14,15,17).
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-propoxypyrimidin-4-amine?
N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-propoxypyrimidin-4-amine has a molecular weight of 277.33 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 66330572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).