6-(1,3-dihydroisoindol-2-yl)-4-N-ethylpyrimidine-2,4-diamine

C14H17N5 — CID 80822823

IUPAC6-(1,3-dihydroisoindol-2-yl)-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1cc(N2Cc3ccccc3C2)nc(N)n1
InChIInChI=1S/C14H17N5/c1-2-16-12-7-13(18-14(15)17-12)19-8-10-5-3-4-6-11(10)9-19/h3-7H,2,8-9H2,1H3,(H3,15,16,17,18)
InChIKeyWKIRTNFFBKNFLA-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.01
Rot. Bonds3

About 6-(1,3-dihydroisoindol-2-yl)-4-N-ethylpyrimidine-2,4-diamine

6-(1,3-dihydroisoindol-2-yl)-4-N-ethylpyrimidine-2,4-diamine (PubChem CID 80822823) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is 6-(1,3-dihydroisoindol-2-yl)-4-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(1,3-dihydroisoindol-2-yl)-4-N-ethylpyrimidine-2,4-diamine
PubChem CID80822823
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name6-(1,3-dihydroisoindol-2-yl)-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1cc(N2Cc3ccccc3C2)nc(N)n1
InChIInChI=1S/C14H17N5/c1-2-16-12-7-13(18-14(15)17-12)19-8-10-5-3-4-6-11(10)9-19/h3-7H,2,8-9H2,1H3,(H3,15,16,17,18)
InChIKeyWKIRTNFFBKNFLA-UHFFFAOYSA-N
XLogP2.01
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-2-methylpyrimidin-4-amine
CID 80767695
1-[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 80823753
6-(1,3-dihydroisoindol-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 80822413
4-N-ethyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-2,4-diamine
CID 80816046
4-N-ethyl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-2,4-diamine
CID 114597917
6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-N-ethylpyrimidine-2,4-diamine
CID 91210228
4-N-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-diamine
CID 80847307
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine
CID 80797635
6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine
CID 80822758
[6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80908426
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-4-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-4-N-ethylpyrimidine-2,4-diamine (CID 80822823) is 6-(1,3-dihydroisoindol-2-yl)-4-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(1,3-dihydroisoindol-2-yl)-4-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(1,3-dihydroisoindol-2-yl)-4-N-ethylpyrimidine-2,4-diamine is CCNc1cc(N2Cc3ccccc3C2)nc(N)n1.
What is the InChIKey of 6-(1,3-dihydroisoindol-2-yl)-4-N-ethylpyrimidine-2,4-diamine?
The InChIKey is WKIRTNFFBKNFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-2-16-12-7-13(18-14(15)17-12)19-8-10-5-3-4-6-11(10)9-19/h3-7H,2,8-9H2,1H3,(H3,15,16,17,18).
What are the key properties of 6-(1,3-dihydroisoindol-2-yl)-4-N-ethylpyrimidine-2,4-diamine?
6-(1,3-dihydroisoindol-2-yl)-4-N-ethylpyrimidine-2,4-diamine has a molecular weight of 255.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydroisoindol-2-yl)-4-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80822823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).