4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine

C14H21N5O — CID 106105448

IUPAC4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCCc2ccn(C)n2)n1
InChIInChI=1S/C14H21N5O/c1-4-9-20-13-10-11(2)16-14(17-13)15-7-5-12-6-8-19(3)18-12/h6,8,10H,4-5,7,9H2,1-3H3,(H,15,16,17)
InChIKeyPSYMZYSBTLTUDC-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.96
Rot. Bonds7

About 4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine

4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine (PubChem CID 106105448) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine
PubChem CID106105448
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCCc2ccn(C)n2)n1
InChIInChI=1S/C14H21N5O/c1-4-9-20-13-10-11(2)16-14(17-13)15-7-5-12-6-8-19(3)18-12/h6,8,10H,4-5,7,9H2,1-3H3,(H,15,16,17)
InChIKeyPSYMZYSBTLTUDC-UHFFFAOYSA-N
XLogP1.96
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-6-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 106106856
N-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115973398
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine
CID 106418468
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 115975022
4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine
CID 115974555
4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine
CID 112637443
N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106177621
4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxypyrimidin-2-amine
CID 115974679
N-(3-chloro-2,2-dimethylpropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112635787
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine (CID 106105448) is 4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine is CCCOc1cc(C)nc(NCCc2ccn(C)n2)n1.
What is the InChIKey of 4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine?
The InChIKey is PSYMZYSBTLTUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-9-20-13-10-11(2)16-14(17-13)15-7-5-12-6-8-19(3)18-12/h6,8,10H,4-5,7,9H2,1-3H3,(H,15,16,17).
What are the key properties of 4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine?
4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine has a molecular weight of 275.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 106105448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).