N-ethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine

C16H22N6 — CID 56739458

IUPACN-ethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine
SMILESCCNc1ccnc(N2Cc3cnc(CC(C)C)nc3C2)n1
InChIInChI=1S/C16H22N6/c1-4-17-14-5-6-18-16(21-14)22-9-12-8-19-15(7-11(2)3)20-13(12)10-22/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,17,18,21)
InChIKeyKUZKUAINGPLWMO-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.42
Rot. Bonds5

About N-ethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine

N-ethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine (PubChem CID 56739458) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-ethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine
PubChem CID56739458
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC NameN-ethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine
SMILESCCNc1ccnc(N2Cc3cnc(CC(C)C)nc3C2)n1
InChIInChI=1S/C16H22N6/c1-4-17-14-5-6-18-16(21-14)22-9-12-8-19-15(7-11(2)3)20-13(12)10-22/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,17,18,21)
InChIKeyKUZKUAINGPLWMO-UHFFFAOYSA-N
XLogP2.42
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N-bis[(2S)-1,1,1-trifluorobutan-2-yl]-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine
CID 117817569
7-Butyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine
CID 71519347
N~2~,N~2~,5,6-tetramethyl-N~4~-[2-(2-pyrazinyl)ethyl]-2,4-pyrimidinediamine
CID 39752283
N~4~-[2-(1H-imidazol-4-yl)ethyl]-N~2~,N~2~,5,6-tetramethylpyrimidine-2,4-diamine
CID 50971148
N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 53565265
2-Tert-butyl-6-(5-ethylpyrimidin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 56703409
4-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyrimidin-2-amine
CID 56711018
N~4~-cyclopropyl-6-{4-[(1-isopropyl-1H-pyrrol-3-yl)methyl]piperazin-1-yl}pyrimidine-2,4-diamine
CID 56721199
2-[[2-Amino-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-yl]amino]ethanol
CID 56738255
2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpyrimidin-4-amine
CID 56740316
N~4~-cyclopropyl-6-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)pyrimidine-2,4-diamine
CID 56742230
4-[2-(2-Methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 56742568

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine (CID 56739458) is N-ethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine is CCNc1ccnc(N2Cc3cnc(CC(C)C)nc3C2)n1.
What is the InChIKey of N-ethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine?
The InChIKey is KUZKUAINGPLWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-4-17-14-5-6-18-16(21-14)22-9-12-8-19-15(7-11(2)3)20-13(12)10-22/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,17,18,21).
What are the key properties of N-ethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine?
N-ethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine is sourced from PubChem (CID 56739458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).