4-N,6-N,6-N-trimethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-4,6-diamine

C12H18N6 — CID 50959299

IUPAC4-N,6-N,6-N-trimethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(N(C)CCc2cn[nH]c2)ncn1
InChIInChI=1S/C12H18N6/c1-17(2)11-6-12(14-9-13-11)18(3)5-4-10-7-15-16-8-10/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKeyBWQFWEHDILTLHN-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.94
Rot. Bonds5

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

4-N,6-N,6-N-trimethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 50959299) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 4-N,6-N,6-N-trimethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N,6-N-trimethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID50959299
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-N,6-N,6-N-trimethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(N(C)CCc2cn[nH]c2)ncn1
InChIInChI=1S/C12H18N6/c1-17(2)11-6-12(14-9-13-11)18(3)5-4-10-7-15-16-8-10/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKeyBWQFWEHDILTLHN-UHFFFAOYSA-N
XLogP0.94
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N,6-N,6-N-trimethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid
CID 50806130
3-(1H-pyrazol-4-yl)propylazanium
CID 7875888
4-N,4-N-diethyl-6-N,6-N-dimethylpyrimidine-4,6-diamine
CID 22613295
N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 26328511
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 26406529
4-N,6-N,6-N-trimethyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 39767253
6-N-tert-butyl-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861806
2-(1H-pyrazol-4-yl)ethanethiol
CID 130569311
N-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 154882630
4-(3-methoxypropyl)-1H-pyrazole
CID 90951720
N-methyl-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1H-pyrazol-4-yl)ethanamine
CID 56858496
6-(azepan-1-yl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
CID 42214302

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N,6-N-trimethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N,6-N-trimethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-4,6-diamine (CID 50959299) is 4-N,6-N,6-N-trimethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N,6-N-trimethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N,6-N-trimethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-4,6-diamine is CN(C)c1cc(N(C)CCc2cn[nH]c2)ncn1.
What is the InChIKey of 4-N,6-N,6-N-trimethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is BWQFWEHDILTLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-17(2)11-6-12(14-9-13-11)18(3)5-4-10-7-15-16-8-10/h6-9H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 4-N,6-N,6-N-trimethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-4,6-diamine?
4-N,6-N,6-N-trimethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 246.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N,6-N-trimethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 50959299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).