4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine

C13H20N6O — CID 50973199

IUPAC4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
SMILESCOCc1cc(CN(C)c2cc(N(C)C)ncn2)[nH]n1
InChIInChI=1S/C13H20N6O/c1-18(2)12-6-13(15-9-14-12)19(3)7-10-5-11(8-20-4)17-16-10/h5-6,9H,7-8H2,1-4H3,(H,16,17)
InChIKeyPECZCBBTNNKSMT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.05
Rot. Bonds6

About 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine

4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine (PubChem CID 50973199) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
PubChem CID50973199
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
SMILESCOCc1cc(CN(C)c2cc(N(C)C)ncn2)[nH]n1
InChIInChI=1S/C13H20N6O/c1-18(2)12-6-13(15-9-14-12)19(3)7-10-5-11(8-20-4)17-16-10/h5-6,9H,7-8H2,1-4H3,(H,16,17)
InChIKeyPECZCBBTNNKSMT-UHFFFAOYSA-N
XLogP1.05
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

CID 72873636
CID 72873636
N-[2-(3,5-Dimethyl-1H-pyrazol-4-YL)ethyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 72922967
2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine
CID 110112074
5-(1-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-1H-1,2,3-triazol-4-yl)pyrimidine
CID 72847615
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-6-propan-2-ylpyrimidin-4-amine
CID 50959698
N-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 72840260
1-(5-Ethyl-2-methylpyrimidin-4-YL)-N-{[5-(methoxymethyl)-1H-pyrazol-3-YL]methyl}piperidin-4-amine
CID 72915073
N-{[5-(Methoxymethyl)-1H-pyrazol-3-YL]methyl}-2-(trifluoromethyl)pyrimidin-4-amine
CID 72937346
2-[(1,5-Dimethylpyrazol-3-yl)methoxy]-5-fluoropyrimidin-4-amine
CID 57819186
N-[[3-[[(2S)-pyrrolidin-2-yl]methoxymethyl]-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 167201408
N-[[3-(morpholin-3-ylmethoxymethyl)-1H-pyrazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 167201445
5-fluoro-4-methoxy-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-amine
CID 135090034

Frequently Asked Questions

What is the IUPAC name of 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine (CID 50973199) is 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine is COCc1cc(CN(C)c2cc(N(C)C)ncn2)[nH]n1.
What is the InChIKey of 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The InChIKey is PECZCBBTNNKSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-18(2)12-6-13(15-9-14-12)19(3)7-10-5-11(8-20-4)17-16-10/h5-6,9H,7-8H2,1-4H3,(H,16,17).
What are the key properties of 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine has a molecular weight of 276.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 50973199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).