6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine

C12H18N6 — CID 80853555

IUPAC6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCc2cnn(C)c2)ncn1
InChIInChI=1S/C12H18N6/c1-3-13-11-6-12(16-9-15-11)14-5-4-10-7-17-18(2)8-10/h6-9H,3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyAOMVNOSFISBOKN-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.30
Rot. Bonds6

About 6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine

6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80853555) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80853555
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCc2cnn(C)c2)ncn1
InChIInChI=1S/C12H18N6/c1-3-13-11-6-12(16-9-15-11)14-5-4-10-7-17-18(2)8-10/h6-9H,3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyAOMVNOSFISBOKN-UHFFFAOYSA-N
XLogP1.30
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine
CID 80689109
6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80853557
6-ethoxy-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine
CID 133464381
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80817082
4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797368
5-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
CID 80689197
6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66329179
2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80966249
6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80853005
1-methyl-4-propylpyrazole;propane
CID 155742221
4-[2-(1-methylpyrazol-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976486
2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 79003445

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine (CID 80853555) is 6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine is CCNc1cc(NCCc2cnn(C)c2)ncn1.
What is the InChIKey of 6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is AOMVNOSFISBOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-3-13-11-6-12(16-9-15-11)14-5-4-10-7-17-18(2)8-10/h6-9H,3-5H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine?
6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80853555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).