N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine

C13H19N5 — CID 80689109

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCCc2cnn(C)c2)ncn1
InChIInChI=1S/C13H19N5/c1-3-4-12-7-13(16-10-15-12)14-6-5-11-8-17-18(2)9-11/h7-10H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyNMBWDVBYHTVBHQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.82
Rot. Bonds6

About N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine

N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine (PubChem CID 80689109) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine
PubChem CID80689109
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCCc2cnn(C)c2)ncn1
InChIInChI=1S/C13H19N5/c1-3-4-12-7-13(16-10-15-12)14-6-5-11-8-17-18(2)9-11/h7-10H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyNMBWDVBYHTVBHQ-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80853555
6-ethoxy-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine
CID 133464381
N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine
CID 61242268
N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
CID 61241880
N-(2-piperazin-1-ylethyl)-6-propylpyrimidin-4-amine
CID 61241307
6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80853557
1-methyl-4-propylpyrazole;propane
CID 155742221
6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80853005
N-(2-cyclopentylethyl)-6-propylpyrimidin-4-amine
CID 61241874
5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
CID 80689197
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80817082
6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66329179

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine (CID 80689109) is N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine is CCCc1cc(NCCc2cnn(C)c2)ncn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine?
The InChIKey is NMBWDVBYHTVBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-4-12-7-13(16-10-15-12)14-6-5-11-8-17-18(2)9-11/h7-10H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine?
N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine is sourced from PubChem (CID 80689109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).