6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine

C13H20N6 — CID 106106808

IUPAC6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCCc2ccn(C)n2)c1C
InChIInChI=1S/C13H20N6/c1-9-12(14-3)16-10(2)17-13(9)15-7-5-11-6-8-19(4)18-11/h6,8H,5,7H2,1-4H3,(H2,14,15,16,17)
InChIKeyUXYQQYFPGBSYRQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.52
Rot. Bonds5

About 6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine

6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 106106808) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID106106808
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCCc2ccn(C)n2)c1C
InChIInChI=1S/C13H20N6/c1-9-12(14-3)16-10(2)17-13(9)15-7-5-11-6-8-19(4)18-11/h6,8H,5,7H2,1-4H3,(H2,14,15,16,17)
InChIKeyUXYQQYFPGBSYRQ-UHFFFAOYSA-N
XLogP1.52
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylpyrazol-3-yl]-2-methylpropanenitrile
CID 72191820
5-(Piperidin-3-yl)-3-(prop-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224560
4-(4-Methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 25131560
8-Pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53321947
8-Piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53324629
10-Azetidin-1-yl-6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohepta[f]indene
CID 53325935
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
4-N-ethyl-2-N-[3-methyl-1-[2-(2-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092410
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
CID 53320653
N-ethyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
CID 53324165
N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-isopentyl-pyrimidine-2,4-diamine
CID 70683297

Frequently Asked Questions

What is the IUPAC name of 6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine (CID 106106808) is 6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine is CNc1nc(C)nc(NCCc2ccn(C)n2)c1C.
What is the InChIKey of 6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is UXYQQYFPGBSYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-9-12(14-3)16-10(2)17-13(9)15-7-5-11-6-8-19(4)18-11/h6,8H,5,7H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine?
6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106106808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).