5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine

C14H21N5 — CID 50964673

IUPAC5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine
SMILESCCc1cnc(C)nc1NC(CC)c1cnn(C)c1
InChIInChI=1S/C14H21N5/c1-5-11-7-15-10(3)17-14(11)18-13(6-2)12-8-16-19(4)9-12/h7-9,13H,5-6H2,1-4H3,(H,15,17,18)
InChIKeyWBBMDGURSKGCAR-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.64
Rot. Bonds5

About 5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine

5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine (PubChem CID 50964673) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine
PubChem CID50964673
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine
SMILESCCc1cnc(C)nc1NC(CC)c1cnn(C)c1
InChIInChI=1S/C14H21N5/c1-5-11-7-15-10(3)17-14(11)18-13(6-2)12-8-16-19(4)9-12/h7-9,13H,5-6H2,1-4H3,(H,15,17,18)
InChIKeyWBBMDGURSKGCAR-UHFFFAOYSA-N
XLogP2.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine (CID 50964673) is 5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine is CCc1cnc(C)nc1NC(CC)c1cnn(C)c1.
What is the InChIKey of 5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine?
The InChIKey is WBBMDGURSKGCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-5-11-7-15-10(3)17-14(11)18-13(6-2)12-8-16-19(4)9-12/h7-9,13H,5-6H2,1-4H3,(H,15,17,18).
What are the key properties of 5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine?
5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine has a molecular weight of 259.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-N-[1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 50964673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).