2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine

C10H14N6 — CID 103004407

IUPAC2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine
SMILESCn1nccc1CCNc1ncc(N)cn1
InChIInChI=1S/C10H14N6/c1-16-9(3-5-15-16)2-4-12-10-13-6-8(11)7-14-10/h3,5-7H,2,4,11H2,1H3,(H,12,13,14)
InChIKeyXLWRCDSVNRWHFP-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.45
Rot. Bonds4

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

2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine (PubChem CID 103004407) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine
PubChem CID103004407
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine
SMILESCn1nccc1CCNc1ncc(N)cn1
InChIInChI=1S/C10H14N6/c1-16-9(3-5-15-16)2-4-12-10-13-6-8(11)7-14-10/h3,5-7H,2,4,11H2,1H3,(H,12,13,14)
InChIKeyXLWRCDSVNRWHFP-UHFFFAOYSA-N
XLogP0.45
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 103012620
4-methyl-2-[2-(2-methylpyrazol-3-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 103007454
5-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 103012638
2-N,2-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 103012622
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000710
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 103007712
2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 103011096
4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine
CID 103004388
5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbothioamide
CID 103007115
4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine
CID 103004438
5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
CID 103004471
3-amino-5-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
CID 103004382

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine (CID 103004407) is 2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine is Cn1nccc1CCNc1ncc(N)cn1.
What is the InChIKey of 2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine?
The InChIKey is XLWRCDSVNRWHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-16-9(3-5-15-16)2-4-12-10-13-6-8(11)7-14-10/h3,5-7H,2,4,11H2,1H3,(H,12,13,14).
What are the key properties of 2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine?
2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine has a molecular weight of 218.26 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine is sourced from PubChem (CID 103004407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).