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

C13H19N5 — CID 72897270

IUPAC5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCCCn1cc(CNc2ncc(CC)cn2)cn1
InChIInChI=1S/C13H19N5/c1-3-5-18-10-12(9-17-18)8-16-13-14-6-11(4-2)7-15-13/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15,16)
InChIKeyUOUUJDJXZSCZPS-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.26
Rot. Bonds6

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

5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine (PubChem CID 72897270) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine
PubChem CID72897270
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCCCn1cc(CNc2ncc(CC)cn2)cn1
InChIInChI=1S/C13H19N5/c1-3-5-18-10-12(9-17-18)8-16-13-14-6-11(4-2)7-15-13/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15,16)
InChIKeyUOUUJDJXZSCZPS-UHFFFAOYSA-N
XLogP2.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-cyclopropyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 80972233
6-chloro-2-cyclopropyl-5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 80978577
N~2~,N~4~,N~4~,5-tetramethyl-N~2~-[3-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidine-2,4-diamine
CID 50955622
5-ethyl-2-methyl-N-[1-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 50964673
5-ethyl-N,2-dimethyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 50976962
5-ethyl-N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)propyl]-2-methylpyrimidin-4-amine
CID 50978867
5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72885337
4-N-[2-(4-chloropyrazol-1-yl)ethyl]-5-ethylpyrimidine-2,4-diamine
CID 72893440
5-ethyl-N~4~-methyl-N~4~-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72899234
N~4~-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-5-ethylpyrimidine-2,4-diamine
CID 72904629
N~4~-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-5-ethylpyrimidine-2,4-diamine
CID 72926789
2-chloro-N-cyclohexyl-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 142748480

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine (CID 72897270) is 5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine is CCCn1cc(CNc2ncc(CC)cn2)cn1.
What is the InChIKey of 5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is UOUUJDJXZSCZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-5-18-10-12(9-17-18)8-16-13-14-6-11(4-2)7-15-13/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine?
5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 72897270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).