2-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,5-diamine

C10H12N6 — CID 62846987

IUPAC2-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,5-diamine
SMILESCc1cnc(CNc2ncc(N)cn2)cn1
InChIInChI=1S/C10H12N6/c1-7-2-13-9(5-12-7)6-16-10-14-3-8(11)4-15-10/h2-5H,6,11H2,1H3,(H,14,15,16)
InChIKeyNQDUDGXWTBYAGW-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.77
Rot. Bonds3

About 2-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,5-diamine

2-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,5-diamine (PubChem CID 62846987) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 2-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,5-diamine
PubChem CID62846987
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name2-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,5-diamine
SMILESCc1cnc(CNc2ncc(N)cn2)cn1
InChIInChI=1S/C10H12N6/c1-7-2-13-9(5-12-7)6-16-10-14-3-8(11)4-15-10/h2-5H,6,11H2,1H3,(H,14,15,16)
InChIKeyNQDUDGXWTBYAGW-UHFFFAOYSA-N
XLogP0.77
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
2,4-Pteridinediamine, 6-methyl-
CID 254916
5,6,7,8-Tetrahydropteridine
CID 156
4-(4-Methylpiperazin-1-yl)pyrimidine-2,5-diamine
CID 25130909
5-((6-((3-Aminopropyl)amino)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile
CID 42610564
7-Methylpteridine
CID 589615
s-Triazine, 2,4-diamino-6-(2-pyrazinyl)-
CID 146422
6-(Aminomethyl)pteridine-2,4-diamine
CID 10511905
N~2~,N~2~-Dimethylpteridine-2,4-diamine
CID 230055
5-((6-((2-Aminoethyl)amino)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile
CID 42610563
6-[6-(trifluoromethyl)pyrazin-2-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 117799027
2-N,4-N-bis[(2S)-1,1,1-trifluorobutan-2-yl]-6-[6-(trifluoromethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817364

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,5-diamine (CID 62846987) is 2-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,5-diamine is Cc1cnc(CNc2ncc(N)cn2)cn1.
What is the InChIKey of 2-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,5-diamine?
The InChIKey is NQDUDGXWTBYAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c1-7-2-13-9(5-12-7)6-16-10-14-3-8(11)4-15-10/h2-5H,6,11H2,1H3,(H,14,15,16).
What are the key properties of 2-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,5-diamine?
2-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,5-diamine has a molecular weight of 216.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,5-diamine is sourced from PubChem (CID 62846987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).